[3aR-(3aα,4α,6α,6aα)]-6-[7-chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxole-4-carboxylic acid | 209737-60-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: [3aR-(3aα,4α,6α,6aα)]-6-[7-chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxole-4-carboxylic acid
• 英文别名: (3aS,4R,6S,6aR)-4-(7-chloro-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carboxylic acid
• CAS: 209737-60-0
• 化学式: C₁₆H₂₀ClN₅O₄S
• 分子量: 413.885
• InChiKey: RCHVAENTQFNOIT-URPMGSGRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  138
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [3aR-(3aα,4α,6α,6aα)]-6-[7-chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxole-4-carboxylic acid 生成 [3aR-(3aα,4α,6α,6aα)]-Tetrahydro-2,2-dimethyl-6-[7-[(1,3-dimethylbutyl)amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-4H-cyclopenta-1,3-dioxole-4-carboxylic acid
  参考文献：
  名称：

  Triazolo[4,5-D]pyrimidinyl derivatives and their use as medicaments

  摘要：

  本发明涉及三唑并[4,5-d]嘧啶-3-基衍生物，该衍生物在治疗血小板聚集障碍方面具有用途。

  公开号：

  US06297232B1
• 作为产物：
  描述：

  [3aR-(3aα,4α,6α,6aα)]-6-[[5-amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]-tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxole-4-carboxylic acid 在 亚硝酸异戊酯 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以7.9 g的产率得到[3aR-(3aα,4α,6α,6aα)]-6-[7-chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxole-4-carboxylic acid
  参考文献：
  名称：

  Triazolo(4,5-d)pyrimidine compounds

  摘要：

  提供了Triazolo[4,5-d]嘧啶化合物，其化学式为(I)，其中R1、R2、R3、R4、R5和R6如规范中所定义。还提供了含有这些化合物的组合物，以及用于它们的制备方法和在治疗疾病中的使用方法，包括心肌梗死和不稳定性心绞痛。

  公开号：

  US06369064B1

文献信息

• 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists
  申请人：AstraZeneca UK Limited

  公开号：US06251910B1

  公开（公告）日：2001-06-26

  Compounds of formula having the following stereochemistry wherein R, R1, R2, R3 and R4 are as defined in the specification. The compounds are useful as P2T receptor antagonists.

  具有以下立体化学的式化合物 其中R、R1、R2、R3和R4如规范中所定义。这些化合物可用作P2T受体拮抗剂。
• Triazolo [4,5-d]pyrimidine compounds, their use as medicaments,
  申请人：AstraZeneca UK Limited

  公开号：US06156756A1

  公开（公告）日：2000-12-05

  The invention provides new triazolo[4,5-d]pyrimidine compounds, their use as medicaments, compositions containing them and processes for their preparation.

  这项发明提供了新的三唑并[4,5-d]嘧啶化合物，它们作为药物的用途，含有它们的组合物以及它们的制备方法。
• From ATP to AZD6140: The discovery of an orally active reversible P2Y12 receptor antagonist for the prevention of thrombosis
  作者：Brian Springthorpe、Andrew Bailey、Patrick Barton、Timothy N. Birkinshaw、Roger V. Bonnert、Roger C. Brown、David Chapman、John Dixon、Simon D. Guile、Robert G. Humphries、Simon F. Hunt、Francis Ince、Anthony H. Ingall、Ian P. Kirk、Paul D. Leeson、Paul Leff、Richard J. Lewis、Barrie P. Martin、Dermot F. McGinnity、Michael P. Mortimore、Stuart W. Paine、Garry Pairaudeau、Anil Patel、Aaron J. Rigby、Robert J. Riley、Barry J. Teobald、Wendy Tomlinson、Peter J.H. Webborn、Paul A. Willis

  DOI：10.1016/j.bmcl.2007.07.057

  日期：2007.11

  Starting from adenosine triphosphate (ATP), the identification of a novel series of P2Y(12) receptor antagonists and exploitation of their SAR is described. Modifications of the acidic side chain and the purine core and investigation of hydrophobic substituents led to a series of neutral molecules. The leading compound, 17 (AZD6140), is currently in a large phase III clinical trial for the treatment of acute coronary syndromes and prevention of thromboembolic clinical sequelae. (c) 2007 Elsevier Ltd. All rights reserved.
• TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS
  申请人：AstraZeneca AB

  公开号：EP0946561B1

  公开（公告）日：2002-02-13
• US6297232B1
  申请人：——

  公开号：US6297232B1

  公开（公告）日：2001-10-02