公开(公告)号：US20090239868A1

公开(公告)日：2009-09-24

申请号：US12257042

申请日：2008-10-23

申请人： Susumu Muto ,  Akiko Itai

发明人： Susumu Muto ,  Akiko Itai

IPC分类号： A61K31/5375 ,  C12N5/06 ,  A61K31/167

CPC分类号： A61K31/167 ,  A61K31/5375

摘要： The compound represented by the following general formula (I) has an inhibitory activity on PAI-1 production; wherein: R1 represents, for example, a hydrogen atom, or a 4-(morpholinyl)carbonyl group, ring D represents, for example, a benzene ring or a benzene ring having substituent(s), and phenyl group E has substituent(s) such as a halogen atom, a halogenated alkyl group, an alkyl group, a halogenated alkoxy group, or an alkoxy group.

摘要翻译： 由以下通式（I）表示的化合物对PAI-1产生具有抑制活性; 其中：R 1表示例如氢原子或4-（吗啉基）羰基，环D表示例如苯环或具有取代基的苯环，苯基E具有取代基 ），例如卤素原子，卤代烷基，烷基，卤代烷氧基或烷氧基。

公开(公告)号：US20070185059A1

公开(公告)日：2007-08-09

申请号：US11783325

申请日：2007-04-09

申请人： Susumu Muto ,  Akiko Itai

发明人： Susumu Muto ,  Akiko Itai

IPC分类号： A61K31/695 ,  A61K31/5375 ,  A61K31/40 ,  A61K31/445 ,  A61K31/426 ,  A61K31/277 ,  A61K31/165

CPC分类号： C07D295/192 ,  A61K31/055 ,  A61K31/137 ,  A61K31/15 ,  A61K31/165 ,  A61K31/167 ,  A61K31/18 ,  A61K31/357 ,  A61K31/381 ,  A61K31/40 ,  A61K31/403 ,  A61K31/4035 ,  A61K31/404 ,  A61K31/421 ,  A61K31/422 ,  A61K31/427 ,  A61K31/445 ,  A61K31/4453 ,  A61K31/455 ,  A61K31/47 ,  A61K31/498 ,  A61K31/5375 ,  A61K31/606 ,  A61K31/609 ,  A61K31/616 ,  A61K31/63 ,  C07C235/64

摘要： A medicament for the preventive and/or therapeutic treatment of allergic diseases and/or endometriosis and/or hysteromyoma which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein X represents a connecting group whose number of atoms in the main chain is 2 to (said connecting group may be substituted), A represents hydrogen atom or acetyl group, E represents an aryl group which may be substituted or a hetero aryl group which may be substituted, ring Z represents an arene which may have one or more substitutents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above, or a heteroarene which may have one or more substitutents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above.

摘要翻译： 一种用于预防和/或治疗过敏性疾病和/或子宫内膜异位症和/或子宫肌瘤的药物，其包含作为活性成分的选自以下通式（I）表示的化合物和药理学上可接受的物质 盐及其水合物及其溶剂合物：其中X表示主链中的原子数为2的连接基团（所述连接基团可以被取代），A表示氢原子或乙酰基，E表示芳基 可以被取代的基团或可以被取代的杂芳基，环Z表示除了由式-OA表示的基团之外还可以具有一个或多个取代基的芳烃，其中A具有与上述相同的含义，并且基团 由式-XE表示，其中X和E各自具有与上述相同的含义，或者除了具有一个或多个取代基的杂芳烃 由式-O-A表示的基团，其中A具有与上述定义相同的含义和由式-X-E表示的基团，其中X和E各自具有与上述相同的含义。

公开(公告)号：US20060229324A1

公开(公告)日：2006-10-12

申请号：US10529946

申请日：2003-10-02

申请人： Akiko Itai ,  Susumu Muto ,  Tsuyoshi Inoue ,  Yoshihiro Urade

发明人： Akiko Itai ,  Susumu Muto ,  Tsuyoshi Inoue ,  Yoshihiro Urade

IPC分类号： A61K31/517 ,  C07D403/02

CPC分类号： C07D239/92 ,  C07D403/12

摘要： A medicament having an inhibitory activity against hematopoietic prostaglandin D2 synthase, which comprises as an active ingredient a compound represented by the following general formula (I) or a salt thereof: wherein X represents a group represented by the formula —N═C(R5)— or the formula —NH—CH(R5)—, R1, R2, R3, and R4 represent a hydrogen atom, a halogen atom, a C1 to C6 alkyl group, or a hydroxy group, R5 represents a C1 to C6 alkyl group or a C6 to C10 aryl group, and R represents an amino group.

摘要翻译： 一种具有对造血前列腺素D2合成酶的抑制活性的药物，其包含作为活性成分的由以下通式（I）表示的化合物或其盐：其中X表示由式-NC（R） 5） - 或式-NH-CH（R 5） - ，R 1，R 2，R SUP > 3，R 4表示氢原子，卤素原子，C 1〜C 6烷基，或者 羟基，R 5表示C 6〜C 6烷基或C 6〜C 6烷基， R 10是芳基，R表示氨基。

公开(公告)号：US20060111409A1

公开(公告)日：2006-05-25

申请号：US10515341

申请日：2003-06-05

申请人： Susumu Muto ,  Akiko Itai

发明人： Susumu Muto ,  Akiko Itai

IPC分类号： A61K31/426

CPC分类号： A61K31/4035 ,  A61K31/055 ,  A61K31/121 ,  A61K31/15 ,  A61K31/166 ,  A61K31/167 ,  A61K31/17 ,  A61K31/18 ,  A61K31/185 ,  A61K31/194 ,  A61K31/216 ,  A61K31/222 ,  A61K31/235 ,  A61K31/275 ,  A61K31/341 ,  A61K31/357 ,  A61K31/36 ,  A61K31/381 ,  A61K31/40 ,  A61K31/403 ,  A61K31/44 ,  A61K31/4402

摘要： A medicament for preventive and/or therapeutic treatment of diabetes or complications of diabetes which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein X represents a connecting group whose number of atoms in the main chain is 2 to 5 (said connecting group may be substituted), A represents hydrogen atom or acetyl group, E represents an aryl group which may be substituted or a hetero aryl group which may be substituted, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O— A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above.

摘要翻译： 一种用于预防和/或治疗糖尿病或糖尿病并发症的药物，其包含作为活性成分的物质，所述物质选自由以下通式（I）表示的化合物及其药理学上可接受的盐和水合物 及其溶剂合物：其中X表示主链中的原子数为2〜5的连接基（所述连接基可以被取代），A表示氢原子或乙酰基，E表示可以被取代的芳基 或可以被取代的杂芳基，环Z表示可以具有一个或多个取代基的芳族，除了式-O-A表示的基团之外，其中A具有与上述相同的含义和由式 -XE其中X和E各自具有与上述相同的含义，或除了代表b的基团之外可以具有一个或多个取代基的杂芳烃 y式-O-A其中A具有与上述相同的含义和由式-X-E表示的基团，其中X和E各自具有与上述相同的含义。

公开(公告)号：US20060089395A1

公开(公告)日：2006-04-27

申请号：US10516294

申请日：2003-06-05

申请人： Susumu Muto ,  Akiko Itai

发明人： Susumu Muto ,  Akiko Itai

IPC分类号： A61K31/428 ,  A61K31/426 ,  A61K31/165

CPC分类号： A61K31/18 ,  A61K31/00 ,  A61K31/167 ,  A61K31/222 ,  A61K31/275 ,  A61K31/381 ,  A61K31/40 ,  A61K31/404 ,  A61K31/4164 ,  A61K31/421 ,  A61K31/422 ,  A61K31/426 ,  A61K31/433 ,  A61K31/437 ,  A61K31/4402 ,  A61K31/445 ,  A61K31/451 ,  A61K31/455 ,  A61K31/47 ,  A61K31/498 ,  A61K31/505 ,  A61K31/5375 ,  A61K31/5377

摘要： A medicament having inhibitory activity against NF-κB activation which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein A represents hydrogen atom or acetyl group, E represents a 2,5-di-substituted or a 3,5-di-substituted phenyl group, or a monocyclic or a fused polycyclic heteroaryl group which may be substituted, provided that the compound wherein said heteroaryl group is {circle around (1)} a fused polycyclic heteroaryl group wherein the ring which binds directly to —CONH— group in the formula (I) is a benzene ring, {circle around (2)} unsubstituted thiazol-2-yl group, or {circle around (3)} unsubstituted benzothiazol-2-yl group is excluded, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above.

摘要翻译： 一种具有抑制NF-κB活化活性的药物，其特征在于，含有选自下述通式（I）表示的化合物及其药理学可接受的盐及其水合物及其溶剂合物作为活性成分的物质 ：其中A表示氢原子或乙酰基，E表示2,5-二取代或3,5-二取代的苯基，或可以被取代的单环或稠合多环杂芳基，条件是化合物 其中所述杂芳基为（环绕环（1为稠合多环杂芳基，其中式（I）中与-CONH-基团直接结合的环为苯环）（环绕（2个未取代的噻唑-2-基， 或除了环外（3个未取代的苯并噻唑-2-基），环Z表示除了由式-OA表示的基团之外还可以具有一个或多个取代基的芳烃，其中A具有相同的含义 s和由式-CONH-E表示的基团，其中E具有与上述定义相同的含义，或除了由式-OA表示的基团之外还可以具有一个或多个取代基的杂芳烃，其中A具有相同 意义如上所定义，由式-CONH-E表示的基团，其中E具有与上述相同的含义。

公开(公告)号：US20060035944A1

公开(公告)日：2006-02-16

申请号：US10516293

申请日：2003-06-05

申请人： Susumu Muto ,  Akiko Itai

发明人： Susumu Muto ,  Akiko Itai

IPC分类号： A61K31/428 ,  A61K31/426

CPC分类号： A61K31/695 ,  A61K31/167 ,  A61K31/17 ,  A61K31/18 ,  A61K31/235 ,  A61K31/277 ,  A61K31/381 ,  A61K31/40 ,  A61K31/402 ,  A61K31/404 ,  A61K31/415 ,  A61K31/4164 ,  A61K31/42 ,  A61K31/421 ,  A61K31/422 ,  A61K31/426 ,  A61K31/427 ,  A61K31/433 ,  A61K31/437 ,  A61K31/44 ,  A61K31/4406 ,  A61K31/4418 ,  A61K31/445 ,  A61K31/451 ,  A61K31/454 ,  A61K31/47 ,  A61K31/496 ,  A61K31/498 ,  A61K31/505

摘要： A medicament for preventive and/or therapeutic treatment of neurodegenerative diseases such as Alzheimer's disease or the like which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein A represents hydrogen atom or acetyl group, E represents a 2,5-di-substituted or a 3,5-di-substituted phenyl group, or a monocyclic or a fused polycyclic heteroaryl group which may be substituted, provided that the compound wherein said heteroaryl group is {circle around (1)} a fused polycyclic heteroaryl group wherein the ring which binds directly to —CONH— group in the formula (I) is a benzene ring, {circle around (2)} unsubstituted thiazol-2-yl group, or {circle around (3)} unsubstituted benzothiazol-2-yl group is excluded, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above.

摘要翻译： 一种用于预防和/或治疗神经变性疾病如阿尔茨海默氏病等的药物，其包含选自下列通式（I）表示的化合物及其药理学上可接受的盐的物质作为活性成分 ，及其水合物及其溶剂化物：其中A表示氢原子或乙酰基，E表示2,5-二取代或3,5-二取代的苯基，或单环或稠合多环杂芳基 其可以被取代，条件是其中所述杂芳基为（环绕（1个稠合多环杂芳基，其中式（I）中与-CONH-基团直接键合的环是苯环）的化合物，（环绕（ 2个未取代的噻唑-2-基或不包括（绕有3个未取代的苯并噻唑-2-基）的环，Z代表除了基团之外可具有一个或多个取代基的芳烃 由式-OA表示，其中A具有与上述定义相同的含义和由式-CONH-E表示的基团，其中E具有与上述定义相同的含义，或者除芳烃以外可具有一个或多个取代基的杂芳烃 其中A具有与上述定义相同的含义和由式-CONH-E表示的基团，其中E具有与上述相同的含义。

公开(公告)号：US20060014811A1

公开(公告)日：2006-01-19

申请号：US10516292

申请日：2003-06-05

申请人： Susumu Muto ,  Akiko Itai

发明人： Susumu Muto ,  Akiko Itai

IPC分类号： A61K31/426

CPC分类号： A61K31/421 ,  A61K31/167 ,  A61K31/18 ,  A61K31/255 ,  A61K31/381 ,  A61K31/40 ,  A61K31/404 ,  A61K31/4164 ,  A61K31/422 ,  A61K31/426 ,  A61K31/437 ,  A61K31/4402 ,  A61K31/445 ,  A61K31/451 ,  A61K31/47 ,  A61K31/498 ,  A61K31/505 ,  A61K31/5375 ,  A61K31/616

摘要： A medicament for the prevention and/or treatment of cancers and the like which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein A represents hydrogen atom or acetyl group, E represents a 2,5-di-substituted or a 3,5-di-substituted phenyl group, or a monocyclic or a fused polycyclic heteroaryl group which may be substituted, provided that the compound wherein said heteroaryl group is {circle around (1)} a fused polycyclic heteroaryl group wherein the ring which binds directly to —CONH— group in the formula (I) is a benzene ring, {circle around (2)} unsubstituted thiazol-2-yl group, or {circle around (3)} unsubstituted benzothiazol-2-yl group is excluded, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above.

摘要翻译： 一种用于预防和/或治疗癌症等的药物，其包含选自下列通式（I）表示的化合物及其药理学上可接受的盐及其水合物作为活性成分的物质 及其溶剂合物：其中A表示氢原子或乙酰基，E表示2,5-二取代或3,5-二取代的苯基，或可以被取代的单环或稠合多环杂芳基， 条件是其中所述杂芳基为（环绕（1个稠合多环杂芳基，其中式（I）中与-CONH-基团直接结合的环是苯环）（[未取代的噻唑-2-基 - 环基（除了3个未取代的苯并噻唑-2-基之外，环Z表示除了由式-OA表示的基团之外可具有一个或多个取代基的芳烃，其中A具有相同的含义） ng和由式-CONH-E表示的基团，其中E具有与上述定义相同的含义，或除了由式-OA表示的基团之外还可以具有一个或多个取代基的杂芳烃，其中A具有 与上述定义相同的含义及由式-CONH-E表示的基团，其中E具有与上述相同的含义。

公开(公告)号：US20050049795A1

公开(公告)日：2005-03-03

申请号：US10486835

申请日：2002-08-20

申请人： Miki Fikuda ,  Makoto Shigetaka ,  Nobuo Tomioka ,  Akiko Itai

发明人： Miki Fikuda ,  Makoto Shigetaka ,  Nobuo Tomioka ,  Akiko Itai

IPC分类号： C12Q1/68 ,  G01N33/48 ,  G06F17/30 ,  G06F19/00 ,  G06F19/22 ,  G06F19/26

CPC分类号： G16B30/00 ,  G16B45/00

摘要： A method of reading biological sequence information comprising a step of judging similarity between biological sequence information as a target of reading and biological sequence information registered in a user side database, and a step of displaying the former information together with the biological sequence information registered in the user side database which is judged to have a similar sequence, and optionally comprising a step of registering the biological information as a target of reading in the user side database.

摘要翻译： 一种读取生物序列信息的方法，包括以下步骤：判断作为读取对象的生物序列信息和登记在用户侧数据库中的生物序列信息之间的相似度的步骤，以及将前述信息与登记在用户侧数据库中的生物序列信息一起显示的步骤 被判断为具有相似序列的用户侧数据库，并且可选地包括将生物信息登记为用户侧数据库中的读取对象的步骤。

公开(公告)号：US06389378B2

公开(公告)日：2002-05-14

申请号：US08817646

申请日：1997-06-05

申请人： Akiko Itai ,  Miho Mizutani

发明人： Akiko Itai ,  Miho Mizutani

IPC分类号： G06F1730

CPC分类号： G06F19/705 ,  G06F19/16 ,  Y10S707/99936 ,  Y10S707/99945

摘要： A method of searching one or more ligand-candidate compounds to a target biopolymer from a three-dimensional structure database, which comprises the steps of: (i) the first step of assigning hydrogen-bonding category numbers, information for calculating force-field energy, and information for generating conformations to two or more trial compounds in addition to atomic three-dimensional coordinates thereof; (ii) the second step of preparing physicochemical information about a ligand-binding region and one or more dummy atoms based on the three-dimensional atomic coordinates of the target biopolymer;(iii) the third step of estimating the most stable docking structure, wherein said step further comprises the steps of examining possible docking structures by docking a trial compound to the biopolymer while varying conformations of the trial compound, evaluating interaction energies between the target biopolymer and the trial compound, and repeating structure optimization; (iv) the fourth step of deciding whether or not the trial compound should be adopted as a ligand-candidate compound based on given criteria including the interaction energy values between the target biopolymer and the trial compound in the most stable docking structure estimated according to the step (iii); and (v) the fifth step of repeating the step (iii) and the step (iv) for all of the trial compounds.

摘要翻译： 一种从三维结构数据库中搜索一种或多种配体候选化合物到靶生物聚合物的方法，其包括以下步骤：（i）分配氢键类别数的第一步骤，用于计算力场能的信息 以及除了其原子三维坐标之外还产生与两种或更多种试验化合物的构象的信息; （ii）基于目标生物聚合物的三维原子坐标来制备关于配体结合区和一个或多个虚拟原子的物理化学信息的第二步骤;（iii）估计最稳定的对接结构的第三步骤，其中 所述步骤还包括以下步骤：通过将试验化合物与生物聚合物对接，同时改变试验化合物的构象，评估目标生物聚合物和试验化合物之间的相互作用能量以及重复结构优化来检查可能的对接结构; （iv）根据包括目标生物聚合物和试验化合物在最稳定的对接结构中的相互作用能量值的给定标准来决定是否应该将试验化合物用作配体候选化合物的第四步骤，根据 步骤（iii）; 和（v）对于所有试验化合物重复步骤（iii）和步骤（iv）的第五步。

公开(公告)号：US5642292A

公开(公告)日：1997-06-24

申请号：US307581

申请日：1994-09-27

申请人： Akiko Itai ,  Miho Mizutani

发明人： Akiko Itai ,  Miho Mizutani

IPC分类号： G06F17/30 ,  G06F19/16 ,  G06T17/40

CPC分类号： G06F19/16

摘要： Methods for searching stable docking models of biopolymer-ligand molecule complex, which comprise the steps of: (1) searching possible hydrogen-bond schemes between a biopolymer and a ligand molecule by preparing possible combination sets of hydrogen-bonding heteroatoms in the ligand molecule with dummy atoms located at the positions of heteroatoms that can be hydrogen-bond partners to hydrogen-bonding functional groups in the biopolymer; (2) estimating the possible the hydrogen-bond schemes between the biopolymer and ligand molecule and the possible conformations of a hydrogen-bonding part of the ligand molecule at the same time by comparing the distances between the dummy atoms with the distances between the hydrogen-bonding heteroatoms; and (3) obtaining the possible docking models of the biopolymer-ligand molecule complex by changing the coordinates of all atoms of the ligand molecule into the coordinate system of the biopolymer, according to the correspondences between the hydrogen-bonding heteroatoms in the ligand molecule and the dummy atoms in combination sets for each of the hydrogen-bond schemes and conformations obtained in the second step are provided.According to the methods of the present invention, the structures of stable biopolymer-ligand molecule complex can be searched efficiently and precisely in a short time.

摘要翻译： PCT No.PCT / JP93 / 00365 Sec。 371日期：1994年9月27日 102（e）1994年9月27日PCT 1993年3月26日PCT公布。 出版物WO93 / 20525 日期1993年10月14日用于搜索生物聚合物 - 配体分子复合物的稳定对接模型的方法，其包括以下步骤：（1）通过制备可能的氢键杂原子的组合来搜索生物聚合物和配体分子之间的可能的氢键方案 位于位于可以与生物聚合物中氢键合官能团的氢键配偶体的杂原子位置的配位体分子中; （2）通过将虚拟原子之间的距离与氢原子之间的距离进行比较，同时估计生物聚合物和配体分子之间的氢键方案和配位体分子的氢键部分的可能构象， 键合杂原子; 根据配体分子中与氢键合的杂原子之间的对应关系，以及（3）通过将配体分子的所有原子的坐标改变成生物聚合物的坐标系来获得生物聚合物 - 配体分子复合物的可能的对接模型 提供了在第二步骤中获得的每个氢键方案和构象的组合中的虚拟原子。 根据本发明的方法，可以在短时间内有效和精确地搜索稳定的生物聚合物 - 配体分子复合物的结构。