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公开(公告)号：US20080020971A1
公开(公告)日：2008-01-24
申请号：US11714404
申请日：2007-03-06
IPC分类号： A61K31/19 , A61K31/44 , A61K38/28 , A61P1/00 , A61P25/00 , A61P35/00 , A61P5/00 , A61P9/00 , C07C53/00 , C40B20/00
CPC分类号： C07C53/00
摘要： The present invention is directed to novel heptanoic acid derivatives which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DPP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, particularly in the treatment of type 2 diabetes and conditions that are associated with the same. In addition, the present invention provides pharmaceutical compositions useful in inhibiting DPP-IV enzyme, comprising a therapeutically effective amount of heptanoic acid derivatives. Moreover, the present invention provides a method of inhibiting DPP-IV comprising administering to a mammal in need of such treatment a therapeutically effective amount of a single or a combination of heptanoic acid derivatives of the invention. The invention further relates to the kits and other articles of manufacture for treating disease states associated with DPP-IV enzyme. The invention further relates to a method of identifying a compound that has dipeptidyl peptidase-IV enzyme inhibition activity, comprising following steps: 1. Define the residues of the active site of DPP-IV 2. Define the geometry and force field relationship of the residues identified above in (1) 3. Define the physical parameters of the active site identified in (I) 4. Validate the model based on mutational analysis and in-vitro inhibitor binding studies 5. Screen the library for scaffolds and small molecules that satisfy the model developed in (3) and validated in (4) above. 6. Dock each inhibitor identified in (5) above to the active site of DPP-IV defined in (I). 7. Minimize the energy of the inhibitor and DPP-IV complex using force fields used in (2) above. 8. Compare the energy of interaction of each inhibitor to that of known inhibitors. 9. Synthesize and validate in in-vitro assays
摘要翻译： 本发明涉及作为二肽基肽酶-IV酶抑制剂的新型庚酸衍生物（“DPP-IV抑制剂”），其可用于治疗或预防涉及二肽基肽酶-IV酶的疾病， 特别是在治疗2型糖尿病和与之相关的病症方面。 此外，本发明提供了可用于抑制DPP-IV酶的药物组合物，其包含治疗有效量的庚酸衍生物。 此外，本发明提供了抑制DPP-IV的方法，包括向需要这种治疗的哺乳动物施用治疗有效量的本发明的庚酸衍生物的单一或组合。 本发明还涉及用于治疗与DPP-IV酶相关的疾病状态的试剂盒和其它制品。 本发明还涉及鉴定具有二肽基肽酶-IV酶抑制活性的化合物的方法，包括以下步骤：1.定义DPP-IV的活性位点的残基2.定义残基的几何形状和力场关系 （1）中确定的活性位点的物理参数定义（I）中确定的活性位点的物理参数4.基于突变分析和体外抑制剂结合研究验证模型5.筛选满足以下条件的支架和小分子的文库 （3）中开发并在上述（4）中验证的模型。 6.将上述（5）中鉴定的每种抑制剂停留在（I）中定义的DPP-IV的活性位点。 7.使用上述（2）中使用的力场，最小化抑制剂和DPP-IV复合物的能量。 8.比较每个抑制剂与已知抑制剂相互作用的能量。 9.在体外测定中合成和验证
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公开(公告)号：US20070270492A1
公开(公告)日：2007-11-22
申请号：US11714635
申请日：2007-03-06
IPC分类号： A61K31/20 , A61P3/10 , C07C53/00 , G01N33/573
CPC分类号： C12Q1/37 , C07C53/126 , G01N2333/81 , G01N2500/04
摘要： The present invention is directed to novel nananoic acid derivatives which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DPP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, particularly in the treatment of type 2 diabetes and conditions that are associated with the same. In addition, the present invention provides pharmaceutical compositions useful in inhibiting DPP-IV enzyme, comprising a therapeutically effective amount of nananoic acid derivatives. Moreover, the present invention provides a method of inhibiting DPP-IV comprising administering to a mammal in need of such treatment a therapeutically effective amount of a single or a combination of nananoic acid derivatives of the invention. The invention further relates to the kits and other articles of manufacture for treating disease states associated with DPP-IV enzyme. The invention further relates to a method of identifying a compound that has dipeptidyl peptidase-IV enzyme inhibition activity, comprising following steps: 1. Define the residues of the active site of DPP-IV 2. Define the geometry and force field relationship of the residues identified above in (1) 3. Define the physical parameters of the active site identified in (1) 4. Validate the model based on mutational analysis and in-vitro inhibitor binding studies 5. Screen the library for scaffolds and small molecules that satisfy the model developed in (3) and validated in (4) above. 6. Dock each inhibitor identified in (5) above to the active site of DPP-IV defined in (1). 7. Minimize the energy of the inhibitor and DPP-IV complex using force fields used in (2) above. 8. Compare the energy of interaction of each inhibitor to that of known inhibitors. 9. Synthesize and validate in in-vitro assays
摘要翻译： 本发明涉及作为二肽基肽酶-IV酶（“DPP-IV抑制剂”）的抑制剂的新型纳米酸衍生物，其可用于治疗或预防涉及二肽基肽酶-IV酶的疾病， 特别是在治疗2型糖尿病和与之相关的病症方面。 此外，本发明提供了可用于抑制DPP-IV酶的药物组合物，其包含治疗有效量的纳米酸衍生物。 此外，本发明提供了抑制DPP-IV的方法，包括向需要这种治疗的哺乳动物施用治疗有效量的本发明的纳米酸衍生物的单一或组合。 本发明还涉及用于治疗与DPP-IV酶相关的疾病状态的试剂盒和其它制品。 本发明还涉及鉴定具有二肽基肽酶-IV酶抑制活性的化合物的方法，包括以下步骤：1.定义DPP-IV的活性位点的残基2.定义残基的几何形状和力场关系 （1）中确定的活性位点的物理参数定义（1）中确定的活性位点的物理参数4.基于突变分析和体外抑制剂结合研究验证模型5.筛选满足以下条件的支架和小分子的文库 （3）中开发并在上述（4）中验证的模型。 6.将上述（5）中鉴定的每种抑制剂停留在（1）中定义的DPP-IV的活性位点。 7.使用上述（2）中使用的力场，最小化抑制剂和DPP-IV复合物的能量。 8.比较每个抑制剂与已知抑制剂相互作用的能量。 9.在体外测定中合成和验证
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公开(公告)号：US20070232573A1
公开(公告)日：2007-10-04
申请号：US11714634
申请日：2007-03-06
IPC分类号： A61K31/66 , A61K31/426 , A61K31/41 , A61K31/198 , C07F9/22 , G06G7/48
CPC分类号： A61K31/198 , A61K31/41 , A61K31/426 , A61K31/66 , C12Q1/37 , G01N2500/00
摘要： The present invention is directed to novel Ethanoic acid derivatives which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DPP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, particularly in the treatment of type 2 diabetes and conditions that are associated with the same. In addition, the present invention provides pharmaceutical compositions useful in inhibiting DPP-IV enzyme, comprising a therapeutically effective amount of Ethanoic acid derivatives. Moreover, the present invention provides a method of inhibiting DPP-IV comprising administering to a mammal in need of such treatment a therapeutically effective amount of a single or a combination of Ethanoic acid derivatives of the invention. The invention further relates to the kits and other articles of manufacture for treating disease states associated with DPP-IV enzyme. The invention further relates to a method of identifying a compound that has dipeptidyl peptidase-IV enzyme inhibition activity, comprising following steps: 1. Define the residues of the active site of DPP-IV 2. Define the geometry and force field relationship of the residues identified above in (1) 3. Define the physical parameters of the active site identified in (1) 4. Validate the model based on mutational analysis and in-vitro inhibitor binding studies 5. Screen the library for scaffolds and small molecules that satisfy the model developed in (3) and validated in (4) above. 6. Dock each inhibitor identified in (5) above to the active site of DPP-IV defined in (1). 7. Minimize the energy of the inhibitor and DPP-IV complex using force fields used in (2) above. 8. Compare the energy of interaction of each inhibitor to that of known inhibitors. 9. Synthesize and validate in in-vitro assays
摘要翻译： 本发明涉及作为二肽基肽酶-IV酶（“DPP-IV抑制剂”）的抑制剂的新型乙酸衍生物，其可用于治疗或预防涉及二肽基肽酶-IV酶的疾病， 特别是在治疗2型糖尿病和与之相关的病症方面。 此外，本发明提供了可用于抑制DPP-IV酶的药物组合物，其包含治疗有效量的乙酸衍生物。 此外，本发明提供抑制DPP-IV的方法，包括向需要这种治疗的哺乳动物施用治疗有效量的本发明的乙酸衍生物的单一或组合。 本发明还涉及用于治疗与DPP-IV酶相关的疾病状态的试剂盒和其它制品。 本发明还涉及鉴定具有二肽基肽酶-IV酶抑制活性的化合物的方法，包括以下步骤：1.定义DPP-IV的活性位点的残基2.定义残基的几何形状和力场关系 （1）中确定的活性位点的物理参数定义（1）中确定的活性位点的物理参数4.基于突变分析和体外抑制剂结合研究验证模型5.筛选满足以下条件的支架和小分子的文库 （3）中开发并在上述（4）中验证的模型。 6.将上述（5）中鉴定的每种抑制剂停留在（1）中定义的DPP-IV的活性位点。 7.使用上述（2）中使用的力场，最小化抑制剂和DPP-IV复合物的能量。 8.比较每个抑制剂与已知抑制剂相互作用的能量。 9.在体外测定中合成和验证
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公开(公告)号：US20090036356A1
公开(公告)日：2009-02-05
申请号：US11714663
申请日：2007-03-06
IPC分类号： A61K38/28 , C07C57/30 , A61K38/17 , C40B30/02 , A61K31/455 , A61K31/195
CPC分类号： C07C53/126 , G16B15/00 , G16B35/00 , G16C20/60
摘要： The present invention is directed to novel Octanoic acid derivatives which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DPP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, particularly in the treatment of type 2 diabetes and conditions that are associated with the same. In addition, the present invention provides pharmaceutical compositions useful in inhibiting DPP-IV enzyme, comprising a therapeutically effective amount of Octanoic acid derivatives. Moreover, the present invention provides a method of inhibiting DPP-IV comprising administering to a mammal in need of such treatment a therapeutically effective amount of a single or a combination of Octanoic acid derivatives of the invention.The invention further relates to the kits and other articles of manufacture for treating disease states associated with DPP-IV enzyme.The invention further relates to a method of identifying a compound that has dipeptidyl peptidase-IV enzyme inhibition activity, comprising following steps: 1. Define the residues of the active site of DPP-IV 2. Define the geometry and force field relationship of the residues identified above in (1) 3. Define the physical parameters of the active site identified in (1) 4. Validate the model based on mutational analysis and in-vitro inhibitor binding studies 5. Screen the library for scaffolds and small molecules that satisfy the model developed in (3) and validated in (4) above. 6. Dock each inhibitor identified in (5) above to the active site of DPP-IV defined in (1). 7. Minimize the energy of the inhibitor and DPP-IV complex using force fields used in (2) above. 8. Compare the energy of interaction of each inhibitor to that of known inhibitors. 9. Synthesize and validate in in-vitro assays
摘要翻译： 本发明涉及作为二肽基肽酶-IV酶抑制剂的新型辛酸衍生物（“DPP-IV抑制剂”），其可用于治疗或预防涉及二肽基肽酶-IV酶的疾病， 特别是在治疗2型糖尿病和与之相关的病症方面。 此外，本发明提供了可用于抑制DPP-IV酶的药物组合物，其包含治疗有效量的辛酸衍生物。 此外，本发明提供抑制DPP-IV的方法，包括向需要这种治疗的哺乳动物施用治疗有效量的本发明的辛酸衍生物的单一或组合。 本发明还涉及用于治疗与DPP-IV酶相关的疾病状态的试剂盒和其它制品。 本发明还涉及鉴定具有二肽基肽酶-IV酶抑制活性的化合物的方法，包括以下步骤：1.定义DPP-IV的活性位点的残基2.定义残基的几何形状和力场关系 （1）中确定的活性位点的物理参数定义（1）中确定的活性位点的物理参数4.基于突变分析和体外抑制剂结合研究验证模型5.筛选满足以下条件的支架和小分子的文库 （3）中开发并在上述（4）中验证的模型。 6.将上述（5）中鉴定的每种抑制剂停留在（1）中定义的DPP-IV的活性位点。 7.使用上述（2）中使用的力场，最小化抑制剂和DPP-IV复合物的能量。 8.比较每个抑制剂与已知抑制剂相互作用的能量。 9.在体外测定中合成和验证
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公开(公告)号：US20080051452A1
公开(公告)日：2008-02-28
申请号：US11714584
申请日：2007-03-06
CPC分类号： C07C323/60
摘要： The present invention is directed to novel hexanoic acid derivatives which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DPP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, particularly in the treatment of type 2 diabetes and conditions that are associated with the same. In addition, the present invention provides pharmaceutical compositions useful in inhibiting DPP-IV enzyme, comprising a therapeutically effective amount of hexanoic acid derivatives. Moreover, the present invention provides a method of inhibiting DPP-IV comprising administering to a mammal in need of such treatment a therapeutically effective amount of a single or a combination of hexanoic acid derivatives of the invention. The invention further relates to the kits and other articles of manufacture for treating disease states associated with DPP-IV enzyme. The invention further relates to a method of identifying a compound that has dipeptidyl peptidase-IV enzyme inhibition activity, comprising following steps: 1. Define the residues of the active site of DPP-IV 2. Define the geometry and force field relationship of the residues identified above in (I) 3. Define the physical parameters of the active site identified in (1) 4. Validate the model based on mutational analysis and in-vitro inhibitor binding studies 5. Screen the library for scaffolds and small molecules that satisfy the model developed in (3) and validated in (4) above. 6. Dock each inhibitor identified in (5) above to the active site of DPP-IV defined in (1). 7. Minimize the energy of the inhibitor and DPP-IV complex using force fields used in (2) above. 8. Compare the energy of interaction of each inhibitor to that of known inhibitors. 9. Synthesize and validate in in-vitro assays
摘要翻译： 本发明涉及作为二肽基肽酶-IV酶（“DPP-IV抑制剂”）的抑制剂的新型己酸衍生物，其可用于治疗或预防涉及二肽基肽酶-IV酶的疾病， 特别是在治疗2型糖尿病和与之相关的病症方面。 此外，本发明提供了可用于抑制DPP-IV酶的药物组合物，其包含治疗有效量的己酸衍生物。 此外，本发明提供抑制DPP-IV的方法，包括向需要这种治疗的哺乳动物施用治疗有效量的本发明的己酸衍生物的单一或组合。 本发明还涉及用于治疗与DPP-IV酶相关的疾病状态的试剂盒和其它制品。 本发明还涉及鉴定具有二肽基肽酶-IV酶抑制活性的化合物的方法，包括以下步骤：1.定义DPP-IV的活性位点的残基2.定义残基的几何形状和力场关系 （1）中确定的活性位点的物理参数4.确定基于突变分析和体外抑制剂结合研究的模型5.筛选满足以下条件的支架和小分子的文库 （3）中开发并在上述（4）中验证的模型。 6.将上述（5）中鉴定的每种抑制剂停留在（1）中定义的DPP-IV的活性位点。 7.使用上述（2）中使用的力场，最小化抑制剂和DPP-IV复合物的能量。 8.比较每个抑制剂与已知抑制剂相互作用的能量。 9.在体外测定中合成和验证
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