(R)-1-[6-(3-Chloro-phenylamino)-9-ethyl-9H-purin-2-yl]-pyrrolidine-2-carboxylic acid amide | 190654-11-6

• 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: (R)-1-[6-(3-Chloro-phenylamino)-9-ethyl-9H-purin-2-yl]-pyrrolidine-2-carboxylic acid amide
• 英文别名: 2-[(R)-(-)-2-carbamoyl-pyrrolidin-1-yl]-6-(3-chloro-phenyl-amino)-9-ethyl-9H-purine；(2R)-1-[6-(3-chloroanilino)-9-ethylpurin-2-yl]pyrrolidine-2-carboxamide
• CAS: 190654-11-6
• 化学式: C₁₈H₂₀ClN₇O
• 分子量: 385.856
• InChiKey: CQYKZYZOSSGEEV-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (R)-1-[6-(3-Chloro-phenylamino)-9-ethyl-9H-purin-2-yl]-pyrrolidine-2-carboxylic acid amide 在 lithium aluminium tetrahydride 作用下， 生成 [2-((R)-2-Aminomethyl-pyrrolidin-1-yl)-9-ethyl-9H-purin-6-yl]-(3-chloro-phenyl)-amine
  参考文献：
  名称：

  2,6,9-trisubstituted purines : Optimization towards highly potent and selective CDK1 inhibitors

  摘要：

  Novel 2,6,9-substituted purine derivatives represent a class of potent and selective inhibitors of CDK1/cyclinB. The synthesis, SAR and biological profile of selected compounds are described, (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00691-x
• 作为产物：
  描述：

  2-氯-N-(3-氯苯基)-7H-嘌呤-6-胺 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 (R)-1-[6-(3-Chloro-phenylamino)-9-ethyl-9H-purin-2-yl]-pyrrolidine-2-carboxylic acid amide
  参考文献：
  名称：

  2,6,9-trisubstituted purines : Optimization towards highly potent and selective CDK1 inhibitors

  摘要：

  Novel 2,6,9-substituted purine derivatives represent a class of potent and selective inhibitors of CDK1/cyclinB. The synthesis, SAR and biological profile of selected compounds are described, (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00691-x

文献信息

• [EN] PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION<br/>[FR] DERIVES PURINES ET PROCEDES DE PREPARATION ASSOCIES
  申请人：NOVARTIS AG

  公开号：WO1997016452A1

  公开（公告）日：1997-05-09

  (EN) 2-Amino-6-anilino-purine derivatives of formula (1) in which the symbols are as defined in claim 1, are described. These compounds inhibit p34cdc2/cyclin Bcdc13 kinase and can be used for treatment of hyperproliferative diseases, for example tumour diseases.(FR) On décrit des dérivés 2-amino-6-anilino-purines de la formule 1 dans laquelle les symboles sont tels que définis dans la revendication 1. Ces composés inhibent la p34cdc2/cycline Bcdc13 kinase et on peut les utiliser dans le traitement de maladies à hyperprolifération, par exemple des tumeurs.

  (中文) 描述了式（1）中符号如权利要求1所定义的2-氨基-6-苯胺基嘌呤衍生物。这些化合物抑制p34cdc2 / cyclin Bcdc13激酶，可用于治疗增生性疾病，例如肿瘤疾病。
• Purine derivatives and processes for their preparation
  申请人：Novartis AG

  公开号：US07091346B1

  公开（公告）日：2006-08-15

  2-Amino-6-anilino-purine derivatives of the formula 1 in which the symbols are as defined in claim 1 are described. These compounds inhibit p34cdc2/cyclin Bcdc13 kinase and can be used for treatment of hyperproliferative diseases, for example tumour diseases.

  描述了公式1中符号定义如权利要求1所述的2-氨基-6-苯胺基嘌呤衍生物。这些化合物抑制p34cdc2 / cyclin Bcdc13激酶，可用于治疗过度增殖性疾病，例如肿瘤疾病。
• PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION
  申请人：Novartis AG

  公开号：EP0874846B1

  公开（公告）日：2003-04-02
• US7091346B1
  申请人：——

  公开号：US7091346B1

  公开（公告）日：2006-08-15
• 2,6,9-trisubstituted purines : Optimization towards highly potent and selective CDK1 inhibitors
  作者：Patricia Imbach、Hans-Georg Capraro、Pascal Furet、Helmut Mett、Thomas Meyer、Jürg Zimmermann

  DOI：10.1016/s0960-894x(98)00691-x

  日期：1999.1

  Novel 2,6,9-substituted purine derivatives represent a class of potent and selective inhibitors of CDK1/cyclinB. The synthesis, SAR and biological profile of selected compounds are described, (C) 1998 Elsevier Science Ltd. All rights reserved.