(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid | 99735-44-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
• CAS: 99735-44-1
• 化学式: C₁₃H₁₅NO₃
• 分子量: 233.267
• InChiKey: CFGKWSDAMXTRHE-KOLCDFICSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid 生成 甲基(3s)-5-氧亚基-1-[(1r)-1-苯基乙基]吡咯烷-3-甲酸基酯
  参考文献：
  名称：

  CULBERTSON, TOWNLEY P.;DOMA, JOHN M.;MICH, THOMAS F.;NICHOLS, JEFFREY B.

  摘要：

  DOI：
• 作为产物：
  描述：

  衣康酸二甲酯 在 盐酸 、 4 A molecular sieve 作用下， 以 甲苯 为溶剂， 反应 3.0h， 生成 (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
  参考文献：
  名称：

  1-乙基-7- [3-[（[乙基氨基）甲基] -1-吡咯烷基] -6,8-二氟-1,4-二氢-4-氧代-3-喹啉-羧酸的对映异构体：制备与生物活性。

  摘要：

  DOI：

  10.1021/jm00393a004

文献信息

• PYRIMIDONE DERIVATIVES
  申请人：Nakayama Kazuki

  公开号：US20120208797A1

  公开（公告）日：2012-08-16

  A compound represented by the formula (I) or a pharmaceutically acceptable salt thereof: wherein Z represents nitrogen atom or C—X; X represents hydrogen atom or fluorine atom; R 1 is hydrogen atom or a C 1 -C 3 alkyl group; L represents single bond or a C 1 -C 6 alkylene group which may be substituted; Y represents single bond, sulfur atom, oxygen atom, NH, or the like; R 2 represents hydrogen atom or a cyclic group which may be substituted, which is used for preventive and/or therapeutic treatment of a disease caused by abnormal activity of tau protein kinase 1 such as a neurodegenerative diseases (e.g. Alzheimer disease).

  化合物的化学式为(I)或其药学上可接受的盐：其中，Z代表氮原子或C-X；X代表氢原子或氟原子；R1代表氢原子或C1-C3烷基；L代表单键或C1-C6烷基，可以被取代；Y代表单键、硫原子、氧原子、NH或类似物；R2代表氢原子或可以被取代的环状基团。该化合物用于预防和/或治疗由tau蛋白激酶1异常活性引起的疾病，例如神经退行性疾病（如阿尔茨海默病）。
• 5-OXO-3-PYRROLIDINECARBOXAMIDE DERIVATIVES AS P2X7 MODULATORS
  申请人：Steadman Jon Graham Anthony

  公开号：US20100292295A1

  公开（公告）日：2010-11-18

  The present invention provides a compound of Formula (IA) or a pharmaceutically acceptable salt thereof: wherein R 1 represents C 1-4 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, C 3-6 cycloalkyl, C 3-6 cycloalkylmethyl-, phenyl-X— or heteroaryl, any of which may be optionally substituted; X represents —(CR 12 R 13 ) n —; n represents 0 to 2; and R 7 , R 8 , R 9 , R 10 and R 11 independently represent H, halogen, or cyano; or optionally substituted C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl or C 3-6 cycloalkyl; such that at least two of R 7 , R 8 , R 9 , R 10 and R 11 represent a group other than H and at least one of R 7 and R 11 represents a group other than H; and wherein the compound is other than N-[(2,4-dichlorophenyl)methyl]5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxamide. The compounds and salts are thought to modulate P2X7 receptor function and be capable of antagonizing the effects of ATP at the P2X7 receptor.

  本发明提供了化合物式（IA）或其药学上可接受的盐：其中，R1代表C1-4烷基，C2-6烯基，C2-6炔基，C3-6环烷基，C3-6环烷基甲基，苯基-X-或杂环芳基，其中任何一个可以选择性地被取代；X代表-(CR12R13)n-；n代表0到2；R7、R8、R9、R10和R11分别独立地代表H、卤素或氰基；或可选择性地取代的C1-6烷基，C2-6烯基，C2-6炔基或C3-6环烷基；其中至少有两个R7、R8、R9、R10和R11代表除H以外的基团，且至少有一个R7和R11代表除H以外的基团；所述化合物不同于N-[(2,4-二氯苯基)甲基]5-氧代-1-(苯基甲基)-3-吡咯烷基甲酰胺。这些化合物和盐被认为可以调节P2X7受体功能，并能够拮抗ATP在P2X7受体上的作用。
• CULBERTSON, T. P.;DOMAGALA, J. M.;NICHOLS, J. B.;PRIEBE, S., J. MED. CHEM., 30,(1987) N 10, 1711-1715
  作者：CULBERTSON, T. P.、DOMAGALA, J. M.、NICHOLS, J. B.、PRIEBE, S.

  DOI：——

  日期：——
• US9006232B2
  申请人：——

  公开号：US9006232B2

  公开（公告）日：2015-04-14
• [EN] 5-OXO-3-PYRROLIDINECARBOXAMIDE DERIVATIVES AS P2X7 MODULATORS<br/>[FR] DÉRIVÉS DE 5-OXO-3-PYRROLIDINECARBOXAMIDE UTILISÉS COMME MODULATEURS DE P2X7
  申请人：GLAXO GROUP LTD

  公开号：WO2009077559A2

  公开（公告）日：2009-06-25

  The present invention provides a compound of formula (IA) or a pharmaceutically acceptable salt thereof: wherein: R1 represents C1-4 alkyl, C2-6 alkenyl, C2-6 alkynyl, C3-6 cycloalkyl, C3-6 cycloalkylmethyl-, phenyl-X- or heteroaryl, any of which may be optionally substituted; X represents -(CR12R13)n-; n represents 0 to 2; and R7, R8, R9, R10 and R11 independently represent H, halogen, or cyano; or optionally substituted C1-6 alkyl, C2-6 alkenyl, C2-6 alkynyl or C3-6 cycloalkyl; such that at least two of R7, R8, R9, R10 and R11 represent a group other than H and at least one of R7 and R11 represents a group other than H; and wherein the compound is other than N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxamide. The compounds and salts are thought to modulate P2X7 receptor function and be capable of antagonizing the effects of ATP at the P2X7 receptor.