ethyl E-3-[3,4,5-trifluorophenyl]-2-methyl-propenoate | 187541-61-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: ethyl E-3-[3,4,5-trifluorophenyl]-2-methyl-propenoate
• 英文别名: (E)-ethyl 2-methyl-3-(3,4,5-trifluorophenyl)acrylate；Ethyl 2-methyl-3-(3,4,5-trifluorophenyl)acrylate；ethyl (E)-2-methyl-3-(3,4,5-trifluorophenyl)prop-2-enoate
• CAS: 187541-61-3
• 化学式: C₁₂H₁₁F₃O₂
• 分子量: 244.213
• InChiKey: IJDRABLXWHHVKE-QPJJXVBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl E-3-[3,4,5-trifluorophenyl]-2-methyl-propenoate 、 苯酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以89%的产率得到(E)-ethyl 3-(3,5-difluoro-4-phenoxyphenyl)-2-methylacrylate
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS
  [FR] COMPOSÉS ET PROCÉDÉS D'INHIBITION D'UN ANTIPORT À MÉDIATION PAR NHE DANS LE TRAITEMENT DE TROUBLES ASSOCIÉS À UNE RÉTENTION DE FLUIDE OU À UNE SURCHARGE DE SEL ET DE TROUBLES DU TRACTUS GASTRO-INTESTINAL

  摘要：

  公开号：

  WO2010078449A3
• 作为产物：
  描述：

  3,4,5-三氟苯甲醛 生成 ethyl E-3-[3,4,5-trifluorophenyl]-2-methyl-propenoate
  参考文献：
  名称：

  Substituted cinnamic acid guanidides, a process for their preparation,

  摘要：

  式I的化合物描述如下：其中至少有一个取代基R（1）、R（2）、R（3）、R（4）和R（5）是含氮杂环基团。它们是杰出的心血管治疗剂。它们通过将化合物II与胍反应而得到。

  公开号：

  US05883133A1

文献信息

• SUBSTITUTED CINNAMIC, ACID GUANIDIDES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A MEDICAMENT, AND MEDICAMENT COMPRISING THEM
  申请人：Aventis Pharma Deutschland GmbH.

  公开号：US20020058710A1

  公开（公告）日：2002-05-16

  Substituted cinnamic acid guanidides, process for their preparation, their use as a medicament or diagnostic, and medicament comprising them. Compounds of the 1 , which may be obtained by reaction of a compound II 2 with guanidine.

  苯丙烯酸胍衍生物，其制备方法，作为药物或诊断用途的使用，以及包含它们的药物。可以通过化合物II2与胍反应获得的化合物1。
• Substituted acylguanidines, process for their preparation, their use as medicaments or diagnostics, and medicaments comprising them
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US06451781B1

  公开（公告）日：2002-09-17

  Substituted acylguanidines and their pharmaceutically tolerable salts and physiologically functional derivatives. Compounds of the formula I in which the radicals have the meanings indicated, and their physiologically tolerable salts, physiologically functional derivatives and a process for their preparation are described. The compounds are suitable, for example, as medicaments for the prophylaxis or treatment of gallstones.

  取代基酰基胍和其药学可耐受盐和生理功能衍生物。公式I中的化合物，其中基团具有所指示的含义，以及它们的生理可耐受盐、生理功能衍生物和制备过程被描述。这些化合物例如适用于胆结石的预防或治疗。
• COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS
  申请人：Charmot Dominique

  公开号：US20120263670A1

  公开（公告）日：2012-10-18

  The present disclosure is directed to compounds and methods for the treatment of disorders associated with fluid retention or salt overload, such as heart failure (in particular, congestive heart failure), chronic kidney disease, end-stage renal disease, liver disease, and peroxisome proliferator-activated receptor (PPAR) gamma agonist-induced fluid retention. The present disclosure is also directed to compounds and methods for the treatment of hypertension. The present disclosure is also directed to compounds and methods for the treatment of gastrointestinal tract disorders, including the treatment or reduction of pain associated with gastrointestinal tract disorders.

  本公开涉及化合物和方法，用于治疗与液体潴留或盐过载相关的疾病，如心力衰竭（特别是充血性心力衰竭）、慢性肾脏病、终末期肾脏病、肝病和过氧化物酶体增殖物激活受体（PPAR）γ激动剂引起的液体潴留。本公开还涉及化合物和方法，用于治疗高血压。本公开还涉及化合物和方法，用于治疗胃肠道疾病，包括治疗或减轻与胃肠道疾病相关的疼痛。
• Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders
  申请人：Ardelyx, Inc.

  公开号：US08969377B2

  公开（公告）日：2015-03-03

  The present disclosure is directed to compounds of the structure (X): wherein: n is 2 or 3; NHE has the structure wherein: R1 is H or —SO2—NR7R8—; R2 is selected from H, —NR7(CO)R8, —SO2—NR7R8— and —NR7R8; R3 is hydrogen; R7 is hydrogen; R8 is a bond linking to L; L is a polyalkylene glycol linker; and Core has the following structure: wherein: X is selected from the group consisting of a bond, —O—, —NH—, NHC(═O)—, —NHC(═O)NH— and —NHSO2—; and Y is selected from the group consisting of a bond, optionally substituted C1-6 alkylene, optionally substituted benzene, pyridinyl, a polyethylene glycol linker and —(CH2)1-6O(CH2)1-6—, and methods of using such compounds for the treatment of irritable bowel syndrome, chronic kidney disease and end-stage renal disease.

  本公开涉及化合物的结构（X）：其中：n为2或3；NHE具有以下结构：其中：R1为H或—SO2—NR7R8—；R2选择自H，—NR7（CO）R8，—SO2—NR7R8—和—NR7R8；R3为氢；R7为氢；R8为与L连接的键；L为聚乙二醇连接体；以及Core具有以下结构：其中：X选择自一键，—O—，—NH—，NHC（═O）—，—NHC（═O）NH—和—NHSO2—；Y选择自一键，可选取取代的C1-6烷基，可选取取代的苯环，吡啶基，聚乙二醇连接体和—（CH2）1-6O（CH2）1-6—，以及使用这种化合物治疗肠易激综合征、慢性肾脏病和终末期肾脏病的方法。
• COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDER
  申请人：Ardelyx, Inc.

  公开号：US20150190389A1

  公开（公告）日：2015-07-09

  The present disclosure is directed to compounds of the structure (X): CoreL-NHE) n (X) wherein: n is 2 or 3; NHE has the structure wherein: R 1 is H or —SO 2 —NR 7 R 8 —; R 2 is selected from H, —NR 7 (CO)R 8 , —SO 2 —NR 7 R 8 — and —NR 7 R 8 ; R 3 is hydrogen; R 7 is hydrogen; R 8 is a bond linking to L; L is a polyalkylene glycol linker; and Core has the following structure: wherein: X is selected from the group consisting of a bond, —O—, —NH—, NHC(═O)—, —NHC(═O)NH— and —NHSO 2 —; and Y is selected from the group consisting of a bond, optionally substituted C 1-6 alkylene, optionally substituted benzene, pyridinyl, a polyethylene glycol linker and —(CH 2 ) 1-6 O(CH 2 ) 1-6 —, and methods of using such compounds for the treatment of irritable bowel syndrome, chronic kidney disease and end-stage renal disease.

  本公开涉及结构为（X）：CoreL-NHE)n（X）的化合物，其中：n为2或3；NHE具有以下结构：其中：R1为H或—SO2—NR7R8—；R2选自H，—NR7（CO）R8，—SO2—NR7R8—和—NR7R8；R3为氢；R7为氢；R8为连接到L的键；L为多聚乙二醇连接剂；Core具有以下结构：其中：X选自由键，—O—，—NH—，NHC（═O）—，—NHC（═O）NH—和—NHSO2—；Y选自键，可选择性地取代的C1-6烷基，可选择性地取代的苯，吡啶基，聚乙二醇连接剂和—（CH2）1-6O（CH2）1-6—，以及使用这种化合物治疗肠易激综合征、慢性肾脏病和终末期肾脏疾病的方法。