3-chloro-4-[3-cyclohexyl-3-(2-phenyl-2H-indazol-3-yl)-ureido]-benzoic acid | 1218937-55-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-chloro-4-[3-cyclohexyl-3-(2-phenyl-2H-indazol-3-yl)-ureido]-benzoic acid
• 英文别名: 3-chloro-4-[[cyclohexyl-(2-phenylindazol-3-yl)carbamoyl]amino]benzoic acid
• CAS: 1218937-55-3
• 化学式: C₂₇H₂₅ClN₄O₃
• 分子量: 488.973
• InChiKey: PUFXNQNVLNLFCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  87.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-chloro-4-[3-cyclohexyl-3-(2-phenyl-2H-indazol-3-yl)-ureido]-benzoic acid methyl ester 、 氢氧化锂 以 tetrahydrofuran methanol 为溶剂， 反应 16.0h， 生成 3-chloro-4-[3-cyclohexyl-3-(2-phenyl-2H-indazol-3-yl)-ureido]-benzoic acid
  参考文献：
  名称：

  3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES

  摘要：

  本发明涉及一种新型的indazole衍生物，其化学式为I：其中R1至R7的定义如说明书和权利要求中所定义，并且其生理上可接受的盐。这些化合物是FXR调节剂，可用作药物。

  公开号：

  US20100076026A1

文献信息

• 3-amino-indazole or 3-amino-4,5,6,7-tetrahydro-indazole derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US08153663B2

  公开（公告）日：2012-04-10

  This invention relates to novel indazole derivatives of formula I: wherein R1 to R7 are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds are FXR modulators and can be used as medicaments.

  本发明涉及式I的新型吲唑衍生物：其中R1至R7在说明书和权利要求书中定义，以及其生理上可接受的盐。这些化合物是FXR调节剂，可用作药物。
• US8153663B2
  申请人：——

  公开号：US8153663B2

  公开（公告）日：2012-04-10
• [EN] 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE 3-AMINO-INDAZOLE OU DE 3-AMINO-4,5,6,7-TÉTRAHYDRO-INDAZOLE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010034657A1

  公开（公告）日：2010-04-01

  This invention relates to novel indazole derivatives of formula (I), wherein R1 to R7 are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds are FXR modulators and can be use as medicaments. The compounds are selective modulators of the farnesoid-X-receptor, preferably agonists u j[ιe farnesoid-X-receptor (FXR) is a member of the nuclear hormone receptor superfamily of transcription factors. Diseases which are affected by FXR modulators include increased lipid and cholesterol levels, particularly high LDL-cholesterol, high triglycerides, low HDL-cholesterol, dyslipidemia, diseases of cholesterol absorption, atherosclerotic disease, peripheral occlusive disease, ischemic, stroke, diabetes, particularly non-insulin dependent diabetes mellitus, metabolic syndrome, diabetic nephropathy, obesity, cholesterol gallstone disease, cholestasis/fibrosis of the liver, non alcoholic steatohepatitis (NASH), non-alcoholic fatty liver disease (NAFLD), psoriasis, cancer, particularly gastrointestinal cancer, osteoporosis, Parkinson's disease and Alzheimer's disease. Preferred diseases (and conditions) which are affected by FXR modulators are prevention or treatment of high LDL cholesterol levels high triglycerides, dyslipidemia, cholesterol gallstone disease, cancer, non-insulin dependent diabetes mellitus and metabolic syndrome. Particularly preferred diseases which arc affected by FXR modulators arc high LDL cholesterol, high triglyceride levels and dyslipidemia.