3-Bromo-1-(2,4-dichlorophenyl)-4-(4-heptylamino)-6-methyl-5,7-diazaindole | 268547-65-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3-Bromo-1-(2,4-dichlorophenyl)-4-(4-heptylamino)-6-methyl-5,7-diazaindole
• 英文别名: 5-bromo-7-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine
• CAS: 268547-65-5
• 化学式: C₂₀H₂₃BrCl₂N₄
• 分子量: 470.239
• InChiKey: DJMXTZBTKRATLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  42.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Bromo-1-(2,4-dichlorophenyl)-4-(4-heptylamino)-6-methyl-5,7-diazaindole 在 四(三苯基膦)钯 、 potassium acetate 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(2,4-Dichlorophenyl)-7-heptan-4-yl-10-methyl-5-methylidene-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
  参考文献：
  名称：

  Synthesis of Pyrrolopyrimidine CRF-R1 Antagonists Containing a Tricyclic Core via an Intra-molecular Heck Reaction

  摘要：

  A synthetic route to pharmaceutically important tricyclic pyrrolopyrimidines was developed. The method employs a palladium-mediated Heck cyclization as the critical step in the construction of the final six membered ring.

  DOI：

  10.3987/com-03-s(p)41
• 作为产物：
  描述：

  5-烯丙基-4,6-二氯-2-甲基嘧啶 在 sodium periodate 、 四氧化锇 、 溴 、 sodium hydride 、 对甲苯磺酸 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 3-Bromo-1-(2,4-dichlorophenyl)-4-(4-heptylamino)-6-methyl-5,7-diazaindole
  参考文献：
  名称：

  Synthesis of Pyrrolopyrimidine CRF-R1 Antagonists Containing a Tricyclic Core via an Intra-molecular Heck Reaction

  摘要：

  A synthetic route to pharmaceutically important tricyclic pyrrolopyrimidines was developed. The method employs a palladium-mediated Heck cyclization as the critical step in the construction of the final six membered ring.

  DOI：

  10.3987/com-03-s(p)41

文献信息

• CRF receptor antagonists and methods relating thereto
  申请人：Neurocrine Biosciences, Inc.

  公开号：US06531475B1

  公开（公告）日：2003-03-11

  CRF receptor antagonists are disclosed which have utility in the treatment of a variety of disorders, including the treatment of disorders manifesting hypersecretion of CRF in a warm-blooded animals, such as stroke. The CRF receptor antagonists of this invention have the following structure: including stereoisomers and pharmaceutically acceptable salts thereof, wherein n, m, A, B, C, R, R1, R2 and Ar are as defined herein. Compositions containing a CRF receptor antagonist in combination with a pharmaceutically acceptable carrier are also disclosed, as well as methods for use of the same

  本发明披露了CRF受体拮抗剂，其在治疗各种疾病中具有用途，包括治疗在温血动物中表现为CRF过度分泌的疾病，如中风。本发明的CRF受体拮抗剂具有以下结构：包括其立体异构体和药学上可接受的盐，其中n、m、A、B、C、R、R1、R2和Ar的定义如本文所述。还披露了含有CRF受体拮抗剂与药学上可接受的载体结合的组合物，以及使用相同的方法。
• CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO
  申请人：Neurocrine Biosciences, Inc.

  公开号：EP1129091A2

  公开（公告）日：2001-09-05
• US6514982B1
  申请人：——

  公开号：US6514982B1

  公开（公告）日：2003-02-04
• US6531475B1
  申请人：——

  公开号：US6531475B1

  公开（公告）日：2003-03-11
• [EN] CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO<br/>[FR] ANTAGONISTES DE RECEPTEURS DU CRF ET METHODES ASSOCIEES
  申请人：NEUROCRINE BIOSCIENCES INC

  公开号：WO2000027846A2

  公开（公告）日：2000-05-18

  CRF receptor antagonists are disclosed which have utility in the treatment of a variety of disorders, including the treatment of disorders manifesting hypersecretion of CRF in a warm-blooded animals, such as stroke. The CRF receptor antagonists of this invention have structure (I) including stereoisomers and pharmaceutically acceptable salts thereof, wherein n, m, A, B, C, R, R1, R2 and Ar are as defined herein. Compositions containing a CRF receptor antagonist in combination with a pharmaceutically acceptable carrier are also disclosed, as well as methods for use of the same.