methyl 2-[(4-amino-3-fluorophenyl)oxy]acetate hydrochloride | 383671-55-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 2-[(4-amino-3-fluorophenyl)oxy]acetate hydrochloride
• 英文别名: methyl 2-(4-amino-3-fluorophenoxy)acetate;hydrochloride
• CAS: 383671-55-4
• 化学式: C₉H₁₀FNO₃*ClH
• 分子量: 235.643
• InChiKey: RBQHMIFLAYESKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.38
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  61.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2-[(4-amino-3-fluorophenyl)oxy]acetate hydrochloride 、 三光气 、 三乙胺 以 二氯甲烷 为溶剂， 反应 14.0h， 生成 (3-fluoro-4-isocyanato-phenoxy)-acetic acid methyl ester
  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
• 作为产物：
  描述：

  methyl 2-(3-fluoro-4-nitrophenoxy)acetate 、 (3R,5S)-N-propanesulfonyl-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetamide 在 palladium-carbon 盐酸 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 生成 methyl 2-[(4-amino-3-fluorophenyl)oxy]acetate hydrochloride
  参考文献：
  名称：

  Benzoxazepinones and their use as squalene synthase inhibitors

  摘要：

  披露了一种由公式[I]表示的化合物： 1 其中R 1 是可选地取代的1-羧乙基，可选地取代的烷基亚磺酰基，可选地取代的(羧基环烷基)-烷基，—X 1 —X 2 —Ar—X 3 —X 4 —COOH(其中X 1 和X 4 是键或亚烷基，X 2 和X 3 是键，—O—，—S—，Ar是二价芳香族等)，R 2 是可选地由酰氧基和/或羟基取代的烷基，R 3 是烷基，W是卤素原子等，或其盐。该化合物具有降低胆固醇活性和降低甘油三酯活性，用于预防或治疗高脂血症。

  公开号：

  US20030078251A1

文献信息

• 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES
  申请人：Benson Gregory Martin

  公开号：US20100076026A1

  公开（公告）日：2010-03-25

  This invention relates to novel indazole derivatives of formula I: wherein R 1 to R 7 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.

  这项发明涉及公式I的新型吲唑衍生物： 其中R1至R7如描述和索赔中所定义，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。
• BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1292585A1

  公开（公告）日：2003-03-19
• US8153663B2
  申请人：——

  公开号：US8153663B2

  公开（公告）日：2012-04-10
• [EN] BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS<br/>[FR] BENZOXAZEPINONES ET LEUR UTILISATION COMME INHIBITEURS DE LA SQUALENE SYNTHASE
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2001098282A1

  公开（公告）日：2001-12-27

  There is disclosed a compound represented by formula (I), wherein R1 is optionally substituted 1-carboxyethyl group, optionally substituted alkyl-sulfonyl group, optionally substituted (carboxy-cycloalkyl)-alkyl group, -X?1-X2-Ar-X3-X4¿-COOH (wherein X?1 and X4¿ are a bond or alkylene group, X?2 and X3¿ are a bond, -O-, -S-, Ar is divalent aromatic group , etc.), R2 is alkyl group optionally substituted with alkanoyloxy group and/or hydroxy group, R3 is alkyl group, and W is halogen atom, etc., or a salt thereof. The compound has the cholesterol lowering activity and the triglyceride lowering activity and is useful for preventing and/or treating hyperlipidemia.
• [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.