3-[N-(1-carboxycyclohexyl)carbamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine | 1001422-88-3

• 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: 3-[N-(1-carboxycyclohexyl)carbamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine
• 英文别名: 1-[[6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
• CAS: 1001422-88-3
• 化学式: C₂₆H₂₂Cl₂N₄O₃
• 分子量: 509.392
• InChiKey: VYCBTEMCMXQGGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  96.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-[N-(1-carboxycyclohexyl)carbamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine 、 盐酸甲胺 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以61%的产率得到6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-[N-[1-(N-methylcarbamoyl)cyclohexyl]-carbamoyl]pyrazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  WO2008/4698

  摘要：

  公开号：
• 作为产物：
  描述：

  6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-[N-(1-methoxycarbonylcyclohexyl)carbamoyl]pyrazolo[1,5-a]pyrimidine 在 sodium hydroxide 、 乙醇 、 水 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 以92%的产率得到3-[N-(1-carboxycyclohexyl)carbamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  WO2008/4698

  摘要：

  公开号：

文献信息

• PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST
  申请人：Tanimoto Koichi

  公开号：US20090258867A1

  公开（公告）日：2009-10-15

  The present invention provides a pyrazolo[1,5-a]pyrimidine compound, having CB1 receptor-antagonizing activity, of the following formula [I]: in which R 1 and R 2 are the same or different and each an optionally substituted aryl group etc, R 0 is hydrogen atom, an alkyl group etc, E is a group of the formula: —C(═O)— or —SO 2 —, R is a group of the following formula [i], [ii] or [iii] etc: Ring A is (a) a C 3-8 cycloalkyl group optionally fused to a benzene ring or (b) a benzene ring, Q is a single bond or a methylene group, Ring B is a 4- to 7-membered aliphatic heterocyclic group, said cyclic group binding via its ring-carbon atom to the adjacent nitrogen atom, X is sulfur atom etc, R 3 is an alkyl group optionally substituted by an alkylthio group, R 4 is hydrogen atom, an alkyl group etc, one of R A and R B is an alkyl group etc, and the other is hydrogen atom, an alkyl group etc, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有CB1受体拮抗活性的吡唑并[1,5-a]嘧啶化合物，其化学式[I]如下：其中，R1和R2相同或不同，分别是可选取代的芳基等；R0是氢原子，烷基等；E是以下式子的基团：—C(═O)—或—SO2—；R是以下式子[i]、[ii]或[iii]等的基团：环A是(a)一个C3-8环烷基，可选地融合到苯环上，或(b)一个苯环；Q是单键或亚甲基基团；环B是一个4-7个成员的脂肪族杂环基团，该环基团通过其环碳原子与相邻的氮原子结合；X是硫原子等；R3是可选取代的烷基，可以是烷基硫基等；R4是氢原子，烷基等；RA和RB中的一个是烷基等，另一个是氢原子，烷基等，或其药学上可接受的盐。
• Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：US08163759B2

  公开（公告）日：2012-04-24

  The present invention provides a pyrazolo[1,5-a]pyrimidine compound, having CB1 receptor-antagonizing activity, of the following formula [I]: in which R1 and R2 are the same or different and each an optionally substituted aryl group etc, R0 is hydrogen atom, an alkyl group etc, E is a group of the formula: —C(═O)— or —SO2—, R is a group of the following formula [i], [ii]or [iii] etc: Ring A is (a) a C3-8 cycloalkyl group optionally fused to a benzene ring or (b) a benzene ring, Q is a single bond or a methylene group, Ring B is a 4- to 7-membered aliphatic heterocyclic group, said cyclic group binding via its ring-carbon atom to the adjacent nitrogen atom, X is sulfur atom etc, R3 is an alkyl group optionally substituted by an alkylthio group, R4 is hydrogen atom, an alkyl group etc, one of RA and RB is an alkyl group etc, and the other is hydrogen atom, an alkyl group etc, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有CB1受体拮抗活性的吡唑并[1,5-a]嘧啶化合物，其化学式[I]如下：其中，R1和R2相同或不同，分别为可选择取代的芳基基团等，R0为氢原子、烷基基团等，E为下式的基团：—C(═O)—或—SO2—，R为下式的基团[i]、[ii]或[ iii]等：环A为(a)一个C3-8环烷基团，可选择与苯环融合，或(b)一个苯环，Q为单键或亚甲基基团，环B为一个4-至7-成员的脂环杂环基团，所述环基团通过其环碳原子与相邻的氮原子结合，X为硫原子等，R3为可选择取代的烷基基团，其中该烷基基团被烷基硫基取代，R4为氢原子、烷基基团等，RA和RB中的一个为烷基基团等，另一个为氢原子、烷基基团等，或其药学上可接受的盐。
• Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist
  申请人：Tanimoto Koichi

  公开号：US08921380B2

  公开（公告）日：2014-12-30

  Pyrazolo[1,5-a]pyrimidine compound, having CB1 receptor-antagonizing activity, of formula [I]: wherein R1 and R2 are the same or different and each is an optionally substituted aryl group, etc., R0 is hydrogen, an alkyl group, etc., E is —C(═O)— or —SO2—, R is a group of formula [i], [ii] or [iii], etc: Ring A is a C3-8 cycloalkyl group optionally fused to a benzene ring or a benzene ring, Q is a single bond or a methylene group, Ring B is a 4- to 7-membered aliphatic heterocyclic group, said cyclic group binding via its ring-carbon atom to the adjacent nitrogen atom, X is sulfur atom, etc., R3 is an alkyl group optionally substituted by an alkylthio group, R4 is hydrogen atom, an alkyl group, etc., one of RA and RB is an alkyl group, etc., and the other is hydrogen, an alkyl group, etc., or a pharmaceutically acceptable salt thereof.

  一种具有CB1受体拮抗活性的吡唑并[1,5-a]嘧啶化合物，其化学式为[I]：其中R1和R2相同或不同，每个都是可选择性取代的芳基基团等，R0是氢，烷基基团等，E是—C（═O）—或—SO2—，R是化学式[i]，[ii]或[ iii]等的基团：环A是可选择性融合到苯环或苯环的C3-8环烷基团，Q是单键或亚甲基基团，环B是4-至7-成员的脂肪环异杂环基团，所述环基团通过其环碳原子与相邻的氮原子结合，X是硫原子等，R3是可选择性取代的烷基基团，R4是氢原子，烷基基团等，RA和RB中的一个是烷基基团等，另一个是氢，烷基基团等，或其药学上可接受的盐。
• Pyrazolo[1,5-a]pyrimidine compounds as CB1 receptor antagonists
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP2520577A1

  公开（公告）日：2012-11-07

  The present invention provides pyrazolo[1,5-a]pyrimidine compounds and pharmaceutically acceptable salts thereof having CB1 receptor-antagonizing activity. These compounds, and compositions comprising the same, are hence useful in the treatment of a wide range of conditions and diseases.

  本发明提供了具有 CB1 受体拮抗活性的吡唑并[1,5-a]嘧啶化合物及其药学上可接受的盐类。这些化合物及其组合物可用于治疗多种病症和疾病。
• PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP2035427B1

  公开（公告）日：2013-12-11