2-azido-6-(2-chlorophenyl)-3-ethoxycarbonyl-7-(4-trifluoromethylphenyl)pyrazolo[1,5-a]pyrimidine | 935454-96-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-azido-6-(2-chlorophenyl)-3-ethoxycarbonyl-7-(4-trifluoromethylphenyl)pyrazolo[1,5-a]pyrimidine
• 英文别名: Ethyl 2-azido-6-(2-chlorophenyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate；ethyl 2-azido-6-(2-chlorophenyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• CAS: 935454-96-9
• 化学式: C₂₂H₁₄ClF₃N₆O₂
• 分子量: 486.84
• InChiKey: ANKISZSJZFPXMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  70.8
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-azido-6-(2-chlorophenyl)-3-ethoxycarbonyl-7-(4-trifluoromethylphenyl)pyrazolo[1,5-a]pyrimidine 、 三苯基膦 以 四氢呋喃 为溶剂， 反应 1.0h， 以77%的产率得到6-(2-chlorophenyl)-3-ethoxycarbonyl-7-(4-trifluoromethylphenyl)-2-(N-triphenylphosphoranylidenamino)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)-3-ethoxycarbonyl-7-(4-trifluoromethylphenyl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以98%的产率得到2-azido-6-(2-chlorophenyl)-3-ethoxycarbonyl-7-(4-trifluoromethylphenyl)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
  申请人：Moritani Yasunori

  公开号：US20090069298A1

  公开（公告）日：2009-03-12

  The present invention relates to a novel pyrazolo[1,5-a]pyrimidine compound of the formula [I]: wherein R 1 and R 2 are the same or different and an optionally substituted aryl group etc. Q is single bond, a methylene group or a group of the formula: —N(R Q )—, R Q is an alkyl group, Ring A is a substituted pyrazole ring fused to the adjacent pyrimidine ring having the following formula (A), (B) or (C), R 3 and R 4 are the same or different and a hydrogen atom, a cyano group etc. E is one of the following groups (i) to (v): R 00 is an alkyl group, Q 1 is a single bond etc., Q 2 is a single bond or an alkylene group, one of R 5 and R 6 is a hydrogen atom or an alkyl group and the other is an alkyl group etc., one of R 50 and R 60 is a hydrogen atom or an alkyl group and the other is a hydrogen atom, an alkyl group etc., R 51 is an alkyl group or an optionally substituted arylsulfonyl group, R 61 is an alkylamino group or an azido group, or a pharmaceutically acceptable salt thereof.

  本发明涉及一种新型吡唑并[1,5-a]嘧啶化合物，其化学式为[I]：其中R1和R2相同或不同，可以是任选取代芳基等；Q是单键，亚甲基基团或式子：—N(RQ)—，RQ是烷基基团；环A是一个取代的吡唑环与相邻的嘧啶环融合，具有以下式子(A)、(B)或(C)：其中R3和R4相同或不同，可以是氢原子、氰基等；E是以下式子(i)至(v)中的一种：其中R00是烷基基团，Q1是单键等，Q2是单键或烷基烃基团，R5和R6中的一个是氢原子或烷基基团，另一个是烷基基团等，R50和R60中的一个是氢原子或烷基基团，另一个是氢原子、烷基基团等，R51是烷基基团或任选取代的芳基磺酰基团，R61是烷基氨基基团或叠氮基团，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 CANNABINOID RECEPTOR ANTAGONISTS
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1945220A1

  公开（公告）日：2008-07-23
• 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