公开(公告)号：WO2014070888A8

公开(公告)日：2014-08-21

申请号：PCT/US2013067503

申请日：2013-10-30

Applicant: MASSACHUSETTS INST TECHNOLOGY

Inventor： BUCHWALD STEPHEN L ,  SWAGER TIMOTHY M ,  TEVEROVSKIY GEORGIY ,  SU MINGJUAN

IPC: C07D401/14 ,  C07D403/08 ,  C07D403/14

CPC classification number: H01L51/0072 ,  C07D487/18 ,  H01L51/0073 ,  H01L51/0074 ,  H01L51/5012 ,  H01L51/5048 ,  Y02E10/549

Abstract: Embodiments described herein relate to compositions including iptycene-based structures and extended iptycene structures. In some embodiments, the compositions may be useful in organic light-emitting diodes (OLEDs), organic photovoltaics, and other devices.

Abstract translation: 本文描述的实施方案涉及包含基于新型的结构和扩展的新型结构的组合物。 在一些实施例中，组合物可用于有机发光二极管（OLED），有机光伏器件和其他器件。

公开(公告)号：WO2004013094A3

公开(公告)日：2004-08-26

申请号：PCT/US0323924

申请日：2003-07-31

Applicant: MASSACHUSETTS INST TECHNOLOGY

Inventor： BUCHWALD STEPHEN L ,  KLAPARS ARTIS ,  KWONG FUK Y ,  STREITER ERIC ,  ZANON JACOPO

IPC: C07D333/38 ,  C07B39/00 ,  C07B61/00 ,  C07C17/20 ,  C07C21/17 ,  C07C25/02 ,  C07C25/18 ,  C07C45/63 ,  C07C49/807 ,  C07C51/363 ,  C07C57/60 ,  C07C67/307 ,  C07C69/612 ,  C07C201/12 ,  C07C205/12 ,  C07C231/12 ,  C07C233/15 ,  C07C253/14 ,  C07C253/30 ,  C07C255/35 ,  C07C255/50 ,  C07C255/52 ,  C07C255/53 ,  C07C255/54 ,  C07C255/55 ,  C07C255/56 ,  C07C255/57 ,  C07C255/58 ,  C07C255/60 ,  C07C303/40 ,  C07C311/16 ,  C07C319/14 ,  C07C321/28 ,  C07C321/30 ,  C07C323/09 ,  C07C323/12 ,  C07C323/20 ,  C07C323/22 ,  C07C323/32 ,  C07C323/37 ,  C07C323/56 ,  C07C323/62 ,  C07D207/267 ,  C07D209/08 ,  C07D213/38 ,  C07D213/70 ,  C07D213/73 ,  C07D213/85 ,  C07D215/18 ,  C07D215/54 ,  C07D231/14 ,  C07D271/10 ,  C07D271/107 ,  C07D307/68 ,  C07D333/62 ,  C07D333/68

CPC classification number: C07D213/70 ,  C07B39/00 ,  C07C17/208 ,  C07C45/63 ,  C07C51/363 ,  C07C67/307 ,  C07C201/12 ,  C07C231/12 ,  C07C233/15 ,  C07C253/14 ,  C07C253/30 ,  C07C255/53 ,  C07C303/40 ,  C07C319/14 ,  C07D209/08 ,  C07D213/38 ,  C07D213/73 ,  C07D215/18 ,  C07D215/54 ,  C07D231/14 ,  C07D271/107 ,  C07D333/62 ,  C07D333/68 ,  C07C25/18 ,  C07C21/17 ,  C07C25/02 ,  C07C49/807 ,  C07C57/60 ,  C07C69/65 ,  C07C323/62 ,  C07C323/37 ,  C07C323/32 ,  C07C323/22 ,  C07C323/20 ,  C07C323/12 ,  C07C323/09 ,  C07C321/28 ,  C07C311/16 ,  C07C255/35 ,  C07C255/50 ,  C07C255/52 ,  C07C255/54 ,  C07C255/57 ,  C07C255/58 ,  C07C205/12

Abstract: One aspect of the present invention relates to copper-catalyzed carbon-heteroatom and carbon-carbon bond-forming methods. In certain embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-sulfur bond between the sulfur atom of a thiol moiety and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In other embodiments, the present invention relates to copper(II)-catalyzed methods of forming a carbon-nitrogen bond between the nitrogen atom of an amide and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In certain embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-carbon bond between the carbon atom of cyanide ion and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In another embodiment, the present invention relates to a copper-catalyzed method of transforming and aryl, heteroaryl, or vinyl iodide. Yet another embodiment of the present invention relates to a tandem method, which may be practiced in a single reaction vessel, wherein the first step of the method involves the copper-catalyzed formation of an aryl, heteroaryl, or vinyl iodide from the corresponding aryl, heteroaryl, or vinyl chloride or bromide; and the second step of the method involves the copper-catalyzed formation of an aryl, heteroaryl, or vinyl nitrile, amide or sulfide from the aryl, heteroaryl, or vinyl iodide formed in the first step.

Abstract translation: 本发明的一个方面涉及铜催化的碳 - 杂原子和碳 - 碳键形成方法。 在某些实施方案中，本发明涉及在硫醇部分的硫原子和芳基，杂芳基或乙烯基卤化物或磺酸酯的活性炭之间形成碳 - 硫键的铜催化方法。 在其它实施方案中，本发明涉及在酰胺的氮原子和芳基，杂芳基或卤化乙烯或磺酸盐的活性炭之间形成碳 - 氮键的铜（II）催化方法。 在某些实施方案中，本发明涉及在氰化物离子的碳原子和芳基，杂芳基或乙烯基卤化物或磺酸盐的活性炭之间形成碳 - 碳键的铜催化方法。 在另一个实施方案中，本发明涉及铜催化的转化和芳基，杂芳基或碘乙烯的方法。 本发明的另一个实施方案涉及可以在单个反应容器中实施的串联方法，其中该方法的第一步涉及从相应的芳基铜催化形成芳基，杂芳基或乙烯基碘， 杂芳基或氯乙烯或溴化物; 并且该方法的第二步涉及在第一步中形成的芳基，杂芳基或乙烯基腈，酰胺或硫化物从芳基，杂芳基或乙烯基碘形成铜催化的形成。

公开(公告)号：WO9209545A3

公开(公告)日：1992-10-29

申请号：PCT/US9108738

申请日：1991-11-21

Applicant: MASSACHUSETTS INST TECHNOLOGY

Inventor： BUCHWALD STEPHEN L ,  KREUTZER KRISTINA A ,  WILLOUGHBY CHRISTOPHER A ,  GROSSMAN ROBERT B ,  BERK SCOTT C ,  SPALTENSTEIN ESTHER ,  GUTIERREZ ALBERTO

IPC: B01J31/16 ,  C07B31/00 ,  C07B41/02 ,  C07B43/04 ,  C07B53/00 ,  C07B61/00 ,  C07C29/136 ,  C07C29/143 ,  C07C29/147 ,  C07C31/02 ,  C07C31/125 ,  C07C209/40 ,  C07C209/42 ,  C07C209/50 ,  C07C209/52 ,  C07C211/17 ,  C07C211/42 ,  C07D207/06 ,  C07D295/02 ,  C07D295/023 ,  C07D307/52 ,  C07C209/30 ,  C07C209/44

CPC classification number: C07D295/023 ,  C07B41/02 ,  C07B43/04 ,  C07B2200/07 ,  C07C29/143 ,  C07C29/147 ,  C07C29/157 ,  C07C209/52 ,  C07C2601/02 ,  C07C2601/14 ,  C07D207/06 ,  C07D307/52 ,  C07C31/135 ,  C07C33/22 ,  C07C33/20 ,  C07C31/36 ,  C07C33/03 ,  C07C31/1333 ,  C07C31/125 ,  C07C33/05

Abstract: A process is provided whereby organic carbonyl substrates, including esters, ketones and amides, are reduced in a reaction with a silane reducing reagent and a catalyst. According to the invention esters and ketones can be reduced to alcohols while amides can be reduced to amines, enamines or a mixture thereof. Methods are also provided for catalytically reducing imines to yield amines. Moreover, there is provided a process for the catalytic asymmetric reduction of imines, oximes, hydrazones, and the like, using enantiomerically enriched catalysts, or catalysts in the presence of enantiomerically enriched additives, to provide chiral amine reaction products which are enriched in one enantiomer. Furthermore, there is provided a process for the catalytic asymmetric reduction of ketones, using catalysts in the presence of enantiomerically enriched additives to provide chiral alcohol reaction products which are enriched in one enantiomer.

公开(公告)号：WO2016011107A9

公开(公告)日：2016-09-09

申请号：PCT/US2015040495

申请日：2015-07-15

Applicant: MASSACHUSETTS INST TECHNOLOGY

Inventor： BUCHWALD STEPHEN L ,  PENTELUTE BRADLEY L ,  SPOKOYNY ALEXANDER M ,  VINOGRADOVA EKATERINA V ,  ZHANG CHI

IPC: A61K31/095 ,  C07C321/24

CPC classification number: C07K1/13 ,  C07K1/1077

Abstract: Disclosed are methods of selective cysteine and selenocysteine modification on peptide/protein molecules under physiologically relevant conditions. The methods feature several advantages over existing methods of peptide modification, such as specificity towards thiols and selenols over other nucleophiles (e.g., amines, hydroxyls), excellent functional group tolerance, and mild reaction conditions.

Abstract translation: 公开了在生理相关条件下对肽/蛋白质分子进行选择性半胱氨酸和硒代半胱氨酸修饰的方法。 与现有的肽修饰方法相比，这些方法具有几个优点，例如对硫醇和硒醇比其他亲核试剂（例如胺，羟基）的特异性，优异的官能团耐受性和温和的反应条件。

公开(公告)号：WO2014047662A3

公开(公告)日：2014-06-12

申请号：PCT/US2013061508

申请日：2013-09-24

Applicant: WHITEHEAD BIOMEDICAL INST ,  BROAD INST INC ,  MASSACHUSETTS INST TECHNOLOGY

Inventor： VINCENT BENJAMIN ,  WHITESELL LUKE ,  LINDQUIST SUSAN L ,  YOUNGSAYE WILLMEN ,  BUCHWALD STEPHEN L ,  LANGLOIS JENA-BAPTISTE ,  NAG PARTHA P ,  TING AMAL ,  MORGAN BARBARA J ,  MUNOZ BENITO ,  DANDAPANI SIVARAMAN ,  PU JUN ,  TIDOR BRUCE ,  SRINIVAS RAJA R

IPC: C07D231/56 ,  A61K31/416 ,  A61K31/4192 ,  A61K31/422 ,  A61K31/4245 ,  A61K31/427 ,  A61K31/4439 ,  A61K31/497 ,  A61P31/10 ,  C07D401/04 ,  C07D401/06 ,  C07D403/06 ,  C07D409/04 ,  C07D413/06 ,  C07D417/06

CPC classification number: C07D231/56 ,  C07D401/04 ,  C07D401/06 ,  C07D403/06 ,  C07D405/04 ,  C07D409/04 ,  C07D413/06 ,  C07D417/06

Abstract: The present invention provides novel compounds (e.g., compounds of Formula (I)), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, prodrugs, and compositions thereof. Also provided are methods and kits comprising the inventive compounds, or compositions thereof, for treating and/or preventing a fungal or protozoan infection, inhibiting the activity of a fungal or protozoan enzyme, killing a fungus or protozoon, or inhibiting the growth of a fungus or protozoon. The fungus may be a Candida species, Aspergillus species, or other pathogenic fungal species. The compounds of the invention may inhibit the activity of fungal or protozoan cytochrome b and/or fungal or protozoan Hsp90. The present invention also provides synthetic methods of the inventive compounds.

Abstract translation: 本发明提供新的化合物（例如式（I）的化合物）及其药学上可接受的盐，溶剂合物，水合物，多晶型物，共晶体，互变异构体，立体异构体，同位素标记的衍生物，前药及其组合物。 还提供了包含本发明化合物或其组合物的用于治疗和/或预防真菌或原生动物感染，抑制真菌或原生动物酶的活性，杀死真菌或原生动物或抑制真菌生长的方法和试剂盒 或原生动物。 真菌可以是假丝酵母属，曲霉菌属或其他致病真菌物种。 本发明的化合物可以抑制真菌或原生动物细胞色素b和/或真菌或原生动物Hsp90的活性。 本发明还提供本发明化合物的合成方法。

公开(公告)号：WO0138337A3

公开(公告)日：2001-09-07

申请号：PCT/US0032050

申请日：2000-11-21

Applicant: MASSACHUSETTS INST TECHNOLOGY

Inventor： BUCHWALD STEPHEN L ,  PLANTE OBADIAH J ,  SEEBERGER PETER H

IPC: C07B51/00 ,  C07C25/02 ,  C07H15/18 ,  C07H15/203 ,  C07H15/26

CPC classification number: C07H15/18 ,  C07H15/203 ,  Y02P20/55

Abstract: One aspect of the present invention relates to optionally substituted halogenated benzyl halides and the like. These compounds are useful as halogenated benzyl ether-based protecting groups for a variety of functional groups. Another aspect of the present invention relates to use of said protecting groups in an orthogonal protecting group strategy for the synthesis of complex molecules that comprise a number of suitable functional groups. Another aspect of the present invention relates to saccharides bearing various arrays of protecting groups of the present invention. Another aspect of the present invention relates to a method of synthesizing an oligosaccharide or glycoconjugate, comprising the steps of: using a saccharide bearing at least one protecting group of the present invention to glycosylate a second molecule to give a product comprising said saccharide; and removing a protecting group of the present invention from said product.

Abstract translation: 本发明的一个方面涉及任选取代的卤代苄基卤化物等。 这些化合物可用作各种官能团的卤代苄基醚基保护基。 本发明的另一方面涉及所述保护基团在正交保护基团策略中用于合成包含多个合适官能团的复合分子的用途。 本发明的另一方面涉及带有本发明的各种保护基阵列的糖类。 本发明的另一方面涉及寡糖或糖缀合物的合成方法，其包括以下步骤：使用具有本发明的至少一个保护基团的糖来糖基化第二分子以产生包含所述糖的产物; 并从所述产物中除去本发明的保护基团。

公开(公告)号：WO2016011107A3

公开(公告)日：2016-03-24

申请号：PCT/US2015040495

申请日：2015-07-15

Applicant: MASSACHUSETTS INST TECHNOLOGY

Inventor： BUCHWALD STEPHEN L ,  PENTELUTE BRADLEY L ,  SPOKOYNY ALEXANDER M ,  VINOGRADOVA EKATERINA V ,  ZHANG CHI

IPC: A61K31/095 ,  C07C321/24

CPC classification number: C07K1/13 ,  C07K1/1077

Abstract: Disclosed are methods of selective cysteine and selenocysteine modification on peptide/protein molecules under physiologically relevant conditions. The methods feature several advantages over existing methods of peptide modification, such as specificity towards thiols and selenols over other nucleophiles (e.g., amines, hydroxyls), excellent functional group tolerance, and mild reaction conditions.

Abstract translation: 公开了在生理相关条件下对肽/蛋白质分子进行选择性半胱氨酸和硒代半胱氨酸修饰的方法。 该方法具有优于现有的肽修饰方法的优点，例如对硫醇和硒醇比其它亲核试剂（例如胺，羟基）的特异性，优异的官能团耐受性和温和的反应条件。

公开(公告)号：WO2009076622A3

公开(公告)日：2010-08-12

申请号：PCT/US2008086651

申请日：2008-12-12

Applicant: MASSACHUSETTS INST TECHNOLOGY ,  BUCHWALD STEPHEN L ,  FORS BRETT P ,  SURRY DAVID S

Inventor： BUCHWALD STEPHEN L ,  FORS BRETT P ,  SURRY DAVID S

IPC: C07F9/02

CPC classification number: C07F9/5022 ,  C07C209/10 ,  C07C213/00 ,  C07C231/08 ,  C07D213/74 ,  C07D241/20 ,  C07D401/12 ,  C07D403/04 ,  C07F15/006 ,  C07C211/56 ,  C07C217/84 ,  C07C233/07 ,  C07C233/75

Abstract: Ligands for transition metals are disclosed herein, which may be used in various transition-metal-catalyzed carbon-heteroatom and carbon-carbon bond-forming reactions. The disclosed methods provide improvements in many features of the transition-metal-catalyzed reactions, including the range of suitable substrates, number of catalyst turnovers, reaction conditions, and efficiency. For example, improvements have been realized in transition-metal-catalyzed cross-coupling reactions.

Abstract translation: 本文公开了用于过渡金属的配体，其可用于各种过渡金属催化的碳 - 杂原子和碳 - 碳键形成反应。 所公开的方法提供了过渡金属催化反应的许多特征的改进，包括合适底物的范围，催化剂周转数，反应条件和效率。 例如，在过渡金属催化的交叉偶联反应中已经实现了改进。

公开(公告)号：WO2014145887A1

公开(公告)日：2014-09-18

申请号：PCT/US2014030733

申请日：2014-03-17

Applicant: WHITEHEAD BIOMEDICAL INST ,  MASSACHUSETTS INST TECHNOLOGY

Inventor： LINQUIST SUSAN L ,  BUCHWALD STEPHEN L ,  TARDIFF DANIEL ,  JUI NATHAN

IPC: A01N37/18 ,  A01N43/40 ,  A01N43/50

CPC classification number: C07D235/16 ,  A61K31/4184 ,  A61K31/4439 ,  A61K45/06 ,  C07D235/08 ,  C07D401/12 ,  C07D403/04 ,  C07D405/04 ,  C07D409/12 ,  A61K2300/00

Abstract: The present invention provides novel compounds of Formula (I), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, prodrugs, and pharmaceutical compositions thereof. The present invention also provides methods and kits using the inventive compounds and pharmaceutical compositions for treating and/or preventing diseases associated with protein aggregation, such as amyloidoses (e.g., Parkinson's disease and Alzheimer's disease), treating and/or preventing neurodegenerative diseases, treating and/or preventing diseases associated with Tar DNA binding protein 43 kDa, reducing or preventing protein aggregation, and/or modulating E3 ubiquitin ligase in a subject in need thereof.

Abstract translation: 本发明提供了式（I）的新化合物及其药学上可接受的盐，溶剂化物，水合物，多晶型物，共晶体，互变异构体，立体异构体，同位素标记的衍生物，前药和药物组合物。 本发明还提供了使用本发明化合物和药物组合物治疗和/或预防与蛋白质聚集相关的疾病如淀粉样变性病（例如帕金森氏病和阿尔茨海默氏病），治疗和/或预防神经变性疾病，治疗和 /或预防有此需要的受试者中与Tar DNA结合蛋白43kDa有关的疾病，减少或防止蛋白质聚集，和/或调节E3泛素连接酶。

公开(公告)号：WO2011008725A3

公开(公告)日：2011-03-24

申请号：PCT/US2010041771

申请日：2010-07-13

Applicant: MASSACHUSETTS INST TECHNOLOGY ,  BUCHWALD STEPHEN L ,  WATSON DONALD ALLEN ,  SU MINGJUAN ,  TEVEROVSKIY GEORGIY

Inventor： BUCHWALD STEPHEN L ,  WATSON DONALD ALLEN ,  SU MINGJUAN ,  TEVEROVSKIY GEORGIY

IPC: C07C45/63 ,  C07C17/20 ,  C07C25/13 ,  C07C25/18 ,  C07C25/22 ,  C07C67/307 ,  C07C69/76 ,  C07C205/12 ,  C07C253/30 ,  C07C255/50 ,  C07D471/00

CPC classification number: C07C17/208 ,  C07C45/63 ,  C07C67/307 ,  C07C201/12 ,  C07C253/30 ,  C07D209/30 ,  C07D215/18 ,  C07D311/30 ,  C07D453/04 ,  C07D493/10 ,  C07C25/13 ,  C07C25/22 ,  C07C25/18 ,  C07C49/697 ,  C07C69/76 ,  C07C255/50 ,  C07C205/12

Abstract: One aspect of the invention relates to a metal-catalyzed conversion of aryl halides and sulfonates to the corresponding aryl fluorides. Another aspect of the invention relates to a metal-catalyzed conversion of heteroaryl halides and sulfonates to the corresponding heteroaryl fluorides. Another aspect of the invention relates to a metal-catalyzed conversion of vinyl halides and sulfonates to the corresponding vinyl fluorides. In certain embodiments, simple fluoride sources, such as AgF and CsF, are used. In certain embodiments, the transformations tolerate a wide range of functional groups, allowing for introduction of fluorine atoms into highly functionalized organic molecules.

Abstract translation: 本发明的一个方面涉及芳基卤化物和磺酸盐的金属催化转化为相应的芳基氟化物。 本发明的另一方面涉及杂芳基卤化物和磺酸盐到相应的杂芳基氟化物的金属催化转化。 本发明的另一方面涉及乙烯基卤化物和磺酸盐到相应的乙烯基氟化物的金属催化转化。 在某些实施方案中，使用简单的氟化物源，例如AgF和CsF。 在某些实施方案中，转化容许宽范围的官能团，从而允许将氟原子引入高度官能化的有机分子中。