5-t-butoxycarbonyl-3-benzyl-4,5,6,7-tetrahydrothieno [3,2-c]pyridin-2-carboxylic acid | 165947-50-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: 5-t-butoxycarbonyl-3-benzyl-4,5,6,7-tetrahydrothieno [3,2-c]pyridin-2-carboxylic acid
• 英文别名: 3-benzyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
• CAS: 165947-50-2
• 化学式: C₂₀H₂₃NO₄S
• 分子量: 373.473
• InChiKey: XIJBDXLOFCDSLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  95.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-t-butoxycarbonyl-3-benzyl-4,5,6,7-tetrahydrothieno [3,2-c]pyridin-2-carboxylic acid 、 di-tert-butyl 2,2'-[[4-(aminoacetyl)-1,2-phenylene]bis(oxy)]diacetate hydrochloride 在 N-甲基吗啉 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 作用下， 生成 2-{4-[2-({3-benzyl-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl}formamido)acetyl]-2-(carboxymethoxy)phenoxy}acetic acid
  参考文献：
  名称：

  Tetrahydrothienopyridine derivatives as novel GPIIb/IIIa antagonists

  摘要：

  The tetrahydrothienopyridine derivatives were derived from aminomethylcyclohexylcarboxylic acid as a lead moiety. Evaluation of the antiplatelet activity and receptor binding assay revealed that compound 1 (ME3277) was a novel and potent non-peptide and non-amidinophenyl GPIIb/IIIa antagonist. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00476-3
• 作为产物：
  描述：

  4,5,6,7-四氢噻吩[3,2-C]吡啶-2-羧酸 在 正丁基锂 作用下， 生成 5-t-butoxycarbonyl-3-benzyl-4,5,6,7-tetrahydrothieno [3,2-c]pyridin-2-carboxylic acid
  参考文献：
  名称：

  Tetrahydrothienopyridine derivatives as novel GPIIb/IIIa antagonists

  摘要：

  The tetrahydrothienopyridine derivatives were derived from aminomethylcyclohexylcarboxylic acid as a lead moiety. Evaluation of the antiplatelet activity and receptor binding assay revealed that compound 1 (ME3277) was a novel and potent non-peptide and non-amidinophenyl GPIIb/IIIa antagonist. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00476-3

文献信息

• NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY
  申请人：MEIJI SEIKA KABUSHIKI KAISHA

  公开号：EP0641770B1

  公开（公告）日：1998-05-13
• US5594004A
  申请人：——

  公开号：US5594004A

  公开（公告）日：1997-01-14
• US5698692A
  申请人：——

  公开号：US5698692A

  公开（公告）日：1997-12-16
• Tetrahydrothienopyridine derivatives as novel GPIIb/IIIa antagonists
  作者：Kiyoaki Katano、Eiki Shitara、Masaro Shimizu、Kazue Sasaki、Tomoaki Miura、Yasuko Isomura、Mami Kawaguchi、Shokichi Ohuchi、Takashi Tsuruoka

  DOI：10.1016/0960-894x(96)00476-3

  日期：1996.11

  The tetrahydrothienopyridine derivatives were derived from aminomethylcyclohexylcarboxylic acid as a lead moiety. Evaluation of the antiplatelet activity and receptor binding assay revealed that compound 1 (ME3277) was a novel and potent non-peptide and non-amidinophenyl GPIIb/IIIa antagonist. Copyright (C) 1996 Elsevier Science Ltd