(S)-3-(1'-methylcyclohexanecarbonyl)amino-pyrrolidin-2-one

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-3-(1'-methylcyclohexanecarbonyl)amino-pyrrolidin-2-one
• 英文别名: 1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide
• 化学式: C₁₂H₂₀N₂O₂
• 分子量: 224.303
• InChiKey: CBYDZYDVJBRSJX-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-甲基环己烷羰基氯化物 、 (3S)-3-氨基-2-吡咯烷酮 在 sodium carbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 18.0h， 以62%的产率得到(S)-3-(1'-methylcyclohexanecarbonyl)amino-pyrrolidin-2-one
  参考文献：
  名称：

  WO2006/134385

  摘要：

  公开号：

文献信息

• Anti-Inflammatory Agents
  申请人：Grainger David J.

  公开号：US20100016286A1

  公开（公告）日：2010-01-21

  The invention provides compounds, pharmaceutical compositions and uses of compounds and salts thereof of general formula (I), for the preparation of a medicament for treatment of an inflammatory disorder, but excluding (S)-3-(r-methylcyclohexyl-carbonylamino)-caprolactam: wherein z is 1, 2, 3 or 4; A is —CO— or —SO2-; Q is linear or branched alkyl, alkenyl, alkynyl, alkoxy, oxyalkyl, aminoalkyl, alkylamino, alkylaminoalkyl, haloalkyl, aryl or substituted aryl; T 1 and T 2 together constitute a cycloalkyl, cycloalkenyl or polycycloalkyl radical composed of n additional carbon atoms, where n is between 2 and 7; and each hydrogen atom bonded to the carbon atoms in the ring generated by T 1 and T 2 may be independently be substituted by a group R 1 , where R 1 is independently selected from an alkyl, haloalkyl, alkoxy, haloalkoxy, alkenyl, alkynyl or alkylamino radical of 1 to 20 carbon atoms; or each R 1 is independently selected from fluoro, chloro, bromo, iodo, hydroxy, oxyalkyl, amino, aminoalkyl or aminodialkyl radical.

  本发明提供了一般式(I)的化合物、药物组合物及其盐的用途，用于制备治疗炎症性疾病的药物，但不包括(S)-3-(r-甲基环己烷甲酰氨基)-己内酯：其中，z为1、2、3或4；A为—CO—或—SO2-；Q为线性或支链烷基、烯基、炔基、烷氧基、氧烷基、氨基烷基、烷基氨基、烷基氨基烷基、卤代烷基、芳基或取代芳基；T1和T2共同构成由n个额外碳原子组成的环状烷基、环状烯基或多环烷基基团，其中n介于2和7之间；并且，T1和T2生成的环上的每个碳原子上的氢原子可以独立地被取代为R1基团，其中R1独立地选自具有1到20个碳原子的烷基、卤代烷基、烷氧基、卤代烷氧基、烯基、炔基或烷基氨基基团；或每个R1独立地选自氟、氯、溴、碘、羟基、氧烷基、氨基、氨基烷基或氨基二烷基基团。
• 3-AMINO LACTAMS AS ANTI-INFLAMMATORY AGENTS
  申请人：CAMBRIDGE ENTERPRISE LIMITED

  公开号：US20140336227A1

  公开（公告）日：2014-11-13

  Compounds, pharmaceutical compositions of general formula (I) or (I′) or a pharmaceutically acceptable salt thereof, and methods for treating an inflammatory disorder: wherein: z is 1, 2 or 4; X is —CO—Y k —(R 1 ) n ; k is 0 or 1; Y is a cycloalkyl or polycycloalkyl, cycloalkenyl or polycycloalkenyl group; each R 1 is a branched chain alkyl group; n is any integer from 1 to m, where m is the maximum number of substitutions permissible on the cyclo-group Y; and the compound comprises an amino lactam ring linked to an alkyl group —Y k —(R 1 ) n by an amide group, wherein the carbon atom in the alkyl group at the 2-position relative to the carbon atom of the amide carbonyl is linked to each of the carbon atom of the amide carbonyl and three other carbon atoms by a single bond, and wherein the 2-position carbon atom has essentially tetrahedral bond angles.

  化合物，通式为（I）或（I'）或其药学上可接受的盐的制剂，以及治疗炎症性疾病的方法： 其中： z为1、2或4； X为—CO—Yk—（R1）n； k为0或1； Y为环烷基或多环烷基，环烯基或多环烯基基团； 每个R1为支链烷基； n为1至m的任意整数，其中m是环基团Y上允许的最大取代数； 该化合物包括一个氨基内酯环，通过酰胺基与烷基—Yk—（R1）n相连，其中烷基中2位相对于酰胺羰基的碳原子通过单键与酰胺羰基的碳原子和其他三个碳原子相连，且2位碳原子具有基本四面体键角。
• ANTI-INFLAMMATORY AGENTS
  申请人：Grainger David J.

  公开号：US20110003792A1

  公开（公告）日：2011-01-06

  The invention provides compounds, pharmaceutical compositions and uses of compounds and salts thereof of general formula (I), for the preparation of a medicament for treatment of an inflammatory disorder, but excluding (S)-3-(1′-methylcyclohexylcarbonylamino)-caprolactam: wherein z is 1, 2, 3 or 4; A is —CO— or —SO 2 —; Q is linear or branched alkyl, alkenyl, alkynyl, alkoxy, oxyalkyl, aminoalkyl, alkylamino, alklylaminoalkyl, haloalkyl, aryl or substituted aryl; T 1 and T 2 together constitute a cycloalkyl, cycloalkenyl or polycycloalkyl radical composed of n additional carbon atoms, where n is between 2 and 7; and each hydrogen atom bonded to the carbon atoms in the ring generated by T 1 and T 2 may be independently be substituted by a group R 1 , where R 1 is independently selected from an alkyl, haloalkyl, alkoxy, haloalkoxy, alkenyl, alkynyl or alkylamino radical of 1 to 20 carbon atoms; or each R 1 is independently selected from fluoro, chloro, bromo, iodo, hydroxy, oxyalkyl, amino, aminoalkyl or aminodialkyl radical.

  本发明提供了通式（I）的化合物、药物组合物及其盐的用途，用于制备治疗炎症性疾病的药物，但不包括（S）-3-（1'-甲基环己基羰基氨基）-己内酯：其中z为1、2、3或4；A为—CO—或—SO2—；Q为线性或支链烷基、烯基、炔基、烷氧基、氧烷基、氨基烷基、烷基氨基、烷基氨基烷基、卤代烷基、芳基或取代芳基；T1和T2共同构成由n个额外碳原子组成的环烷基、环烯基或多环烷基基团，其中n介于2和7之间；而且T1和T2生成的环上每个与碳原子相连的氢原子可以独立地被取代为R1基团，其中R1独立地选自1到20个碳原子的烷基、卤代烷基、烷氧基、卤代烷氧基、烯基、炔基或烷基氨基基团；或每个R1独立地选自氟、氯、溴、碘、羟基、氧烷基、氨基、氨基烷基或氨基二烷基基团。
• WO2006/134384
  申请人：——

  公开号：——

  公开（公告）日：——
• Anti-inflammatory agents
  申请人：Cambridge Enterprise Limited

  公开号：EP1896012B1

  公开（公告）日：2014-09-24