2-cyclohexyl-3-oxo-3-(2-oxo-cyclohexyl)-propionic acid ethyl ester | 1219496-23-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 2-cyclohexyl-3-oxo-3-(2-oxo-cyclohexyl)-propionic acid ethyl ester
• 英文别名: ethyl 2-cyclohexyl-3-oxo-3-(2-oxocyclohexyl)propanoate
• CAS: 1219496-23-7
• 化学式: C₁₇H₂₆O₄
• 分子量: 294.391
• InChiKey: RXOYBYBXPKQSRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-氯苯肼 、 2-cyclohexyl-3-oxo-3-(2-oxo-cyclohexyl)-propionic acid ethyl ester 在 4-氯苯肼 、 醋酸异丙酯 、 ice water brine 、 Sodium sulfate-III 、 silica gel 、 n-Heptane isopropyl acetate 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以to give the title compound (130 mg, 324 μmol; 46%) as orange solid的产率得到[2-(4-chloro-phenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-cyclohexyl-acetic acid ethyl ester
  参考文献：
  名称：

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

  摘要：

  本发明涉及新型吲唑或4,5,6,7-四氢吲唑衍生物，其化学式为I，其中R1至R8如说明书和权利要求所定义，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：

  US20100076027A1
• 作为产物：
  描述：

  3-benzotriazol-1-yl-2-cyclohexyl-3-oxo-propionic acid ethyl ester 、 环己酮 在 lithium diisopropyl amide 、 水 作用下， 以 四氢呋喃 、 正庚烷 、 乙基苯 为溶剂， 反应 1.17h， 以21%的产率得到2-cyclohexyl-3-oxo-3-(2-oxo-cyclohexyl)-propionic acid ethyl ester
  参考文献：
  名称：

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

  摘要：

  这项发明涉及新型吲唑或4,5,6,7-四氢吲唑衍生物的公式I，其中R1至R8如描述和索赔中所定义，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：

  US20100076027A1

文献信息

• 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2344459A1

  公开（公告）日：2011-07-20
• US8008505B2
  申请人：——

  公开号：US8008505B2

  公开（公告）日：2011-08-30
• [EN] 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES<br/>[FR] INDAZOLE 2,3-SUBSTITUÉ OU 4,5,6,7-TÉTRAHYDRO-INDAZOLES EN TANT QUE MODULATEURS DE FXR CONTRE LA DYSLIPIDÉMIE ET LES MALADIES ASSOCIÉES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010034649A1

  公开（公告）日：2010-04-01

  This invention relates to novel indazole or 4,5,6,7-tetrahydro-indazole derivatives of formula (I) wherein R1 to R8 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. The compounds are selective modulators of the farnesoid-X-receptor, preferably agonists. The 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.
• INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES
  申请人：Benson Gregory Martin

  公开号：US20100076027A1

  公开（公告）日：2010-03-25

  This invention relates to novel indazole or 4,5,6,7-tetrahydro-indazole derivatives of formula I wherein R 1 to R 8 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.

  这项发明涉及新型吲唑或4,5,6,7-四氢吲唑衍生物的公式I，其中R1至R8如描述和索赔中所定义，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。
• Indazole or 4,5,6,7-tetrahydro-indazole derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US08008505B2

  公开（公告）日：2011-08-30

  This invention relates to novel indazole or 4,5,6,7-tetrahydro-indazole derivatives of formula I wherein R1 to R8 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.

  本发明涉及一种新型的indazole或4,5,6,7-四氢-indazole衍生物，其化学式为I，其中R1至R8如描述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。