{(S)-4-Methyl-7-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-ylmethyl)-carbamoyl]-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl}-acetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: {(S)-4-Methyl-7-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-ylmethyl)-carbamoyl]-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl}-acetic acid
• 英文别名: 2-[(2S)-4-methyl-7-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methylcarbamoyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
• 化学式: C₂₁H₂₂N₆O₄
• 分子量: 422.443
• InChiKey: FWZQYRSTSNFMQB-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  140
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5,6-二氨基-2-皮考林 在 palladium on activated charcoal sodium hydroxide 、 TEA 、 氢气 、 1-羟基苯并三唑 、 溶剂黄146 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 、 氯甲酸异丁酯 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 {(S)-4-Methyl-7-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-ylmethyl)-carbamoyl]-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl}-acetic acid
  参考文献：
  名称：

  Discovery of an imidazopyridine-containing 1,4-benzodiazepine nonpeptide vitronectin receptor (αvβ3) antagonist with efficacy in a restenosis model

  摘要：

  In the 3-oxo-1,4-benzodiazepine-2-acetic acid series of vitronectin receptor (alpha v beta 3) antagonists, a compound containing an imidazopyridine arginine mimetic was discovered which had sufficient potency and iv pharmacokinetics for demonstration of efficacy in a rat restenosis model. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00556-3

文献信息

• Exemestane as chemopreventing agent
  申请人：——

  公开号：US20040024044A1

  公开（公告）日：2004-02-05

  The present invention concerns the use of aromatase inhibitor exemestane, either alone or in combination with other therapeutic agents in the chemoprevention of estrogen dependent cancer in mammals, including humans, at increased risk of the disease.

  本发明涉及芳香化酶抑制剂依西美坦（exemestane）单独或与其他治疗剂联合用于哺乳动物（包括人类）雌激素依赖性癌症的化学预防。
• Methods for treating estrogen-dependent disorders
  申请人：——

  公开号：US20040082557A1

  公开（公告）日：2004-04-29

  A method of preventing and/or treating estrogen-dependent disorders selected from endometriosis, uterine fibroids, dysfunctional uterine bleeding, endometrial hyperplasia, polycystic ovarian disease, fibrocystic breast disease and fibrocystic mastopathy, is disclosed which is comprised of administering to a female mammal in need of such treatment an effective amount of aromatase inactivator exemestane, alone or in combination with additional therapeutic agents. The present invention also relates to a method for treating infertility in a female mammal in need of the infertility treatment, comprising administering an effective amount of exemestane to the mammal.

  本发明公开了一种预防和/或治疗雌激素依赖性疾病的方法，该方法选自子宫内膜异位症、子宫肌瘤、功能失调性子宫出血、子宫内膜增生症、多囊卵巢疾病、纤维囊性乳腺疾病和纤维囊性乳腺病，其包括向需要此类治疗的雌性哺乳动物施用有效量的芳香化酶灭活剂依西美坦，单独或与其他治疗剂联合使用。本发明还涉及一种治疗需要不孕症治疗的雌性哺乳动物不孕症的方法，包括向哺乳动物施用有效量的依西美坦。
• Method of using an integrin antagonist and one or more antineoplastic agents as a combination therapy in the treatment of neoplasia
  申请人：——

  公开号：US20040234624A1

  公开（公告）日：2004-11-25

  The present invention provides methods to treat or prevent neoplasia disorders in a mammal using a combination of an integrin antagonist and an antineoplastic agent.

  本发明提供了使用整合素拮抗剂和抗肿瘤剂组合治疗或预防哺乳动物肿瘤疾病的方法。
• VITRONECTIN RECEPTOR ANTAGONISTS
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP0869787A1

  公开（公告）日：1998-10-14
• EP0869787A4
  申请人：——

  公开号：EP0869787A4

  公开（公告）日：1999-03-24