4-(3-氨基苯基)-噻唑-2-羧酸甲酯 | 885279-72-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-(3-氨基苯基)-噻唑-2-羧酸甲酯
• 英文名称: Methyl 4-(3-aminophenyl)thiazole-2-carboxylate
• 英文别名: methyl 4-(3-aminophenyl)-1,3-thiazole-2-carboxylate
• CAS: 885279-72-1
• 化学式: C₁₁H₁₀N₂O₂S
• 分子量: 234.28
• InChiKey: OAUXBAJKZQHHOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  93.4
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2934100090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

文献信息

• SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20220162201A1

  公开（公告）日：2022-05-26

  Disclosed are compounds of Formula (I): or a stereoisomer, a tautomer, or a salt or solvate thereof, wherein Q is C 2-6 alkenyl or C 2-6 alkynyl, each substituted with zero to 2 R 1 ; and the other variables are as defined herein. These compounds modulate the activity of farnesoid X receptor (FXR), for example, as agonists. Also disclosed are pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.
• [EN] SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS<br/>[FR] COMPOSÉS BICYCLIQUES SUBSTITUÉS UTILISÉS EN TANT QUE MODULATEURS DU RÉCEPTEUR FARNÉSOÏDE X
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2020168148A1

  公开（公告）日：2020-08-20

  Disclosed are compounds of Formula (I): or a stereoisomer, a tautomer, or a salt or solvate thereof, wherein Q is C2-6 alkenyl or C2-6 alkynyl, each substituted with zero to 2 R1; and the other variables are as defined herein. These compounds modulate the activity of farnesoid X receptor (FXR), for example, as agonists. Also disclosed are pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.