4-Methylcyclopentane-1,2-dicarboxylic acid | 1597634-43-9

• 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: 4-Methylcyclopentane-1,2-dicarboxylic acid
• CAS: 1597634-43-9
• 化学式: C₈H₁₂O₄
• mdl: MFCD27500756
• 分子量: 172.18
• InChiKey: KPNLIOQRPMSQNQ-UHFFFAOYSA-N

物化性质

• 沸点：
  368.6±35.0 °C(Predicted)
• 密度：
  1.292±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS
  申请人：Raboisson Pierre Jean-Marie

  公开号：US20100022578A1

  公开（公告）日：2010-01-28

  Inhibitors of HCV replication of formula (I) and the salts and stereoisomers thereof, wherein each dashed line (represented by represents an optional double bond; X is N, CH and where X bears a double bond it is C; R 1 is —OR 7 , —NH—SO 2 R 8 ; R 2 is hydrogen, and where X is C or CH, R 2 may also be C 1-6 alkyl; R 3 is hydrogen, C 1-6 alkyl, C 1-6 alkoxyC 1-6 alkyl, C 3-7 cycloalkyl; n is 3, 4, 5, or 6; R 4 is C 1-6 alkyl or C 3-7 cycloalkyl; R 5 is hydrogen, halo, C 1-6 alkyl, hydroxy, C 1-6 alkoxy, polyhaloC 1-6 alkyl; R 6 is hydrogen, C 1-6 alkoxy, mono- or diC 1-6 alkylamino; or R 5 and R 6 may form a 5- or 6-membered unsaturated or partially unsaturated ring, optionally comprising one or two selected from O, N and S; R 7 is hydrogen; C 3-7 cycloalkyl optionally substituted with C 1-6 alkyl; or C 1-6 alkyl optionally substituted with C 3-7 cycloalkyl; R 8 is C 3-7 cycloalkyl optionally substituted with C 1-6 alkyl; C 1-6 alkyl optionally substituted with C 3-7 cycloalkyl; or —NR 8a R 8b ; R 8a and R 8b are C 1-6 alkyl, or both may form a 5- or 6-membered saturated heterocyclic ring; pharmaceutical compositions containing compounds (I) and processes for preparing compounds (I).

  公式（I）及其盐和立体异构体的HCV复制抑制剂，其中每个虚线（由表示可选双键）; X为N，CH，其中X带有双键时为C; R1为—OR7，—NH—SO2R8; R2为氢，当X为C或CH时，R2也可以是C1-6烷基; R3为氢，C1-6烷基，C1-6烷氧基C1-6烷基，C3-7环烷基; n为3、4、5或6; R4为C1-6烷基或C3-7环烷基; R5为氢，卤素，C1-6烷基，羟基，C1-6烷氧基，多卤素C1-6烷基; R6为氢，C1-6烷氧基，单烷基或二烷基氨基; 或R5和R6可以形成一个5-或6-成员的不饱和或部分不饱和环，可选地包括O、N和S中的一个或两个; R7为氢; C3-7环烷基，可选地被C1-6烷基取代; 或C1-6烷基，可选地被C3-7环烷基取代; R8为C3-7环烷基，可选地被C1-6烷基取代; C1-6烷基，可选地被C3-7环烷基取代; 或—NR8aR8b; R8a和R8b为C1-6烷基，或两者可以形成一个5-或6-成员的饱和杂环; 包含化合物（I）的制药组合物和制备化合物（I）的方法。
• Macrocyclic Inhibitors Of Hepatitis C Virus
  申请人：Simmen Kenneth Alan

  公开号：US20120171157A1

  公开（公告）日：2012-07-05

  Inhibitors of HCV replication of formula (I) and the N-oxides, salts, and stereoisomers, wherein each dashed line represents an optional double bond; X is N, CH and where X bears a double bond it is C; R 1 is —OR 7 , —NH—SO 2 R 8 ; R 2 is hydrogen, and where X is C or CH, R 2 may also be C 1-6 alkyl; R 3 is hydrogen, C 1-6 alkyl, C 1-6 alkoxyC 1-6 alkyl, C 3-7 cycloalkyl; R 4 is aryl or Het; n is 3, 4, 5, or 6; R 5 is halo, C 1-6 alkyl, hydroxy, C 1-6 alkoxy, phenyl, or Het; R 6 is C 1-6 alkoxy, or dimethylamino; R 7 is hydrogen; aryl; Het; C 3-7 cycloalkyl optionally substituted with C 1-6 alkyl; or C 1-6 alkyl optionally substituted with C 3-7 cycloalkyl, aryl or with Het; R 8 is aryl; Het; C 3-7 cycloalkyl optionally substituted with C 1-6 alkyl; or C 1-6 alkyl optionally substituted with C 3-7 cycloalkyl, aryl or with Het; aryl is phenyl optionally substituted with one, two or three substituents; Het is a 5 or 6 membered saturated, partially unsaturated or completely unsaturated heterocyclic ring containing 1 to 4 heteroatoms selected from nitrogen, oxygen and sulfur, and being optionally substituted with one, two or three substituents; pharmaceutical compositions containing compounds (I) and processes for preparing compounds (I). Bioavailable combinations of the inhibitors of HCV of formula (I) with ritonavir are also provided.

  公式（I）和N-氧化物，盐和立体异构体的HCV复制抑制剂，其中每个虚线表示可选的双键；X为N，CH，当X带有双键时，它为C；R1为-OR7，- NH-SO2R8；R2为氢，当X为C或CH时，R2也可以是C1-6烷基；R3为氢，C1-6烷基，C1-6烷氧基C1-6烷基，C3-7环烷基；R4为芳基或Het；n为3、4、5或6；R5为卤素，C1-6烷基，羟基，C1-6烷氧基，苯基或Het；R6为C1-6烷氧基或二甲基氨基；R7为氢，芳基，Het，C3-7环烷基，可选地用C1-6烷基取代；或C1-6烷基，可选地用C3-7环烷基，芳基或Het取代；R8为芳基，Het，C3-7环烷基，可选地用C1-6烷基取代；或C1-6烷基，可选地用C3-7环烷基，芳基或Het取代；芳基为苯基，可选地用一个，两个或三个取代基取代；Het为含有1至4个异原子的5或6成员饱和，部分不饱和或完全不饱和的杂环环，所述异原子为氮，氧和硫，并可用一个，两个或三个取代基取代；含有化合物（I）的制药组合物以及制备化合物（I）的过程。还提供了公式（I）的HCV抑制剂与利托那韦的可生物利用性组合物。
• Macrocyclic Inhibitors of Hepatitis C Virus
  申请人：Simmen Kenneth Alan

  公开号：US20120202859A1

  公开（公告）日：2012-08-09

  Inhibitors of HCV replication of formula (I) wherein W is a heterocycle of formula and the remaining variables are as defined in the specification.

  公式（I）的HCV复制抑制剂，其中W是公式的杂环，其余变量如规范中所定义。
• [EN] HCV NS-3 SERINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE LA NS-3 SERINE PROTEASE DU VHC
  申请人：MEDIVIR AB

  公开号：WO2005073195A2

  公开（公告）日：2005-08-11

  Peptidomimetic compounds are described which inhibit the NS3 protease of the hepatitis C virus (HCV). The compounds have the formula where the variable definitions are as provided in the specification. The compounds comprise a carbocyclic P2 unit in conjunction with a novel linkage to those portions of the inhibitor more distal to the nominal cleavage site of the native substrate, which linkage reverses the orientation of peptidic bonds on the distal side relative to those proximal to the cleavage site.