(3-氯-苯基)-[(9h-芴-9-甲氧基羰基氨基)]-乙酸 | 339208-90-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 中文名称: (3-氯-苯基)-[(9h-芴-9-甲氧基羰基氨基)]-乙酸
• 英文名称: (3-Chloro-phenyl)-[(9H-fluoren-9-ylmethoxycarbonylamino)]-acetic acid
• 英文别名: 2-(3-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
• CAS: 339208-90-1
• 化学式: C₂₃H₁₈ClNO₄
• 分子量: 407.853
• InChiKey: IWNXWBFVGWGSRR-UHFFFAOYSA-N

物化性质

• 沸点：
  623.9±55.0 °C(Predicted)
• 密度：
  1.362±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3-氯-苯基)-[(9h-芴-9-甲氧基羰基氨基)]-乙酸 、 3-amidino-benzoic acid TFA salt 、 alkaline earth salt of/the/ methylsulfuric acid 生成 N-[[(4-Aminomethyl-cyclohexylmethyl)-carbamoyl]-(3-chloro-phenyl)-methyl]-3-carbamimidoyl-benzamide
  参考文献：
  名称：

  The design of phenylglycine containing benzamidine carboxamides as potent and selective inhibitors of factor Xa

  摘要：

  Factor Xa, a critical serine protease in the blood coagulation cascade, has become a target for inhibition as a strategy for the invention of novel anti-thrombotic agents. Here we describe the development of phenylglycine containing benzamidine carboxamides as novel, potent and selective inhibitors of factor Xa. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00042-7

文献信息

• The design of phenylglycine containing benzamidine carboxamides as potent and selective inhibitors of factor Xa
  作者：Stuart D Jones、John W Liebeschuetz、Phillip J Morgan、Christopher W Murray、Andrew D Rimmer、Jonathan M.E Roscoe、Bohdan Waszkowycz、Pauline M Welsh、William A Wylie、Stephen C Young、Harry Martin、Jacqui Mahler、Leo Brady、Kay Wilkinson

  DOI：10.1016/s0960-894x(01)00042-7

  日期：2001.3

  Factor Xa, a critical serine protease in the blood coagulation cascade, has become a target for inhibition as a strategy for the invention of novel anti-thrombotic agents. Here we describe the development of phenylglycine containing benzamidine carboxamides as novel, potent and selective inhibitors of factor Xa. (C) 2001 Elsevier Science Ltd. All rights reserved.