3-[3-(2-tert-Butoxycarbonylamino-ethyl)-5-pyridin-4-ylmethyl-phenyl]-propionic acid ethyl ester | 145691-90-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-[3-(2-tert-Butoxycarbonylamino-ethyl)-5-pyridin-4-ylmethyl-phenyl]-propionic acid ethyl ester
• 英文别名: Ethyl 3-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-(pyridin-4-ylmethyl)phenyl]propanoate
• CAS: 145691-90-3
• 化学式: C₂₄H₃₂N₂O₄
• 分子量: 412.529
• InChiKey: OGNQJIVDETWBIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  77.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-[3-(2-tert-Butoxycarbonylamino-ethyl)-5-pyridin-4-ylmethyl-phenyl]-propionic acid ethyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以75%的产率得到3-[3-(2-Amino-ethyl)-5-pyridin-4-ylmethyl-phenyl]-propionic acid ethyl ester
  参考文献：
  名称：

  Thromboxane modulating agents. 4. Design and synthesis of 3-(2-[{(4-chlorophenyl)sulfonyl}amino]ethyl)benzenepropanoic acid derivatives as potent thromboxane receptor antagonists

  摘要：

  The design of a series of thromboxane receptor antagonists based on 3-(2-[{(4-chlorophenyl)sulfonyl}amino]ethyl)benzenepropanoic acid (1) is described. Addition of an arylmethyl group at the 5-position of 1 gave exceptionally potent agents in vitro and in vivo, with 13a (UK-147,535) giving complete blockade of the TxA(2) receptor for greater than 12 hours in dogs, following all oral dose of 0.1 mg/kg. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00242-x
• 作为产物：
  描述：

  3-[3-(2-Ethoxycarbonyl-ethyl)-5-pyridin-4-ylmethyl-phenyl]-propionic acid ethyl ester 在 sodium hydroxide 、 二苯基膦叠氮化物 、 三乙胺 作用下， 以 乙醇 为溶剂， 生成 3-[3-(2-tert-Butoxycarbonylamino-ethyl)-5-pyridin-4-ylmethyl-phenyl]-propionic acid ethyl ester
  参考文献：
  名称：

  Thromboxane modulating agents. 4. Design and synthesis of 3-(2-[{(4-chlorophenyl)sulfonyl}amino]ethyl)benzenepropanoic acid derivatives as potent thromboxane receptor antagonists

  摘要：

  The design of a series of thromboxane receptor antagonists based on 3-(2-[{(4-chlorophenyl)sulfonyl}amino]ethyl)benzenepropanoic acid (1) is described. Addition of an arylmethyl group at the 5-position of 1 gave exceptionally potent agents in vitro and in vivo, with 13a (UK-147,535) giving complete blockade of the TxA(2) receptor for greater than 12 hours in dogs, following all oral dose of 0.1 mg/kg. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00242-x

文献信息

• PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES
  申请人：Pfizer Limited

  公开号：EP0579618B1

  公开（公告）日：1999-10-13
• US5457118A
  申请人：——

  公开号：US5457118A

  公开（公告）日：1995-10-10
• US5705523A
  申请人：——

  公开号：US5705523A

  公开（公告）日：1998-01-06