5-t-butoxycarbonyl-5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-carboxylic acid | 165947-53-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 5-t-butoxycarbonyl-5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-carboxylic acid
• 英文别名: 5-[(tert-butoxy)carbonyl]-4H,5H,6H,7H,8H-thieno[3,2-c]azepine-2-carboxylic acid；5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine-2-carboxylic acid
• CAS: 165947-53-5
• 化学式: C₁₄H₁₉NO₄S
• 分子量: 297.375
• InChiKey: KQTGEVZDEWBXMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 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-5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-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-Carboxymethoxy-5-{2-[(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepine-2-carbonyl)-amino]-acetyl}-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：

  二碳酸二叔丁酯 、 5,6,7,8-Tetrahydro-4H-thieno[3,2-c]azepine-2-carboxylic acid 生成 5-t-butoxycarbonyl-5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-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