2-(2-chloro-4-(trifluoromethyl)phenoxy)acetic acid | 98919-08-5

• 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: 2-(2-chloro-4-(trifluoromethyl)phenoxy)acetic acid
• 英文别名: (2-Chloro-4-trifluoromethyl-phenoxy)-acetic acid；2-[2-chloro-4-(trifluoromethyl)phenoxy]acetic acid
• CAS: 98919-08-5
• 化学式: C₉H₆ClF₃O₃
• 分子量: 254.593
• InChiKey: WYJXCRUGAOZLSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(2-chloro-4-(trifluoromethyl)phenoxy)acetic acid 、 2-氯-4-氨基苯酚 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以37%的产率得到N-(3-chloro-4-hydroxy-phenyl)-2-(2-chloro-4-trifluoromethyl-phenoxy)-acetamide
  参考文献：
  名称：

  [DE] NEUE AMID-VERBINDUNGEN MIT MCH-ANTAGONISTISCHER WIRKUNG UND DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL
  [EN] NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS
  [FR] NOUVEAUX COMPOSES DE TYPE AMIDE EXERÇANT UNE ACTION ANTAGONISTE SUR L'HORMONE MCH, ET MEDICAMENTS CONTENANT CES COMPOSES

  摘要：

  该发明涉及通式（I）的酰胺化合物，其中基团和残基A、B、b、W、X、Y、Z、R1、R2和R3具有权利要求1中所述的含义。此外，该发明涉及含有至少一种根据本发明的酰胺的药物。由于MCH受体拮抗活性，根据本发明的药物适用于治疗代谢紊乱和/或进食障碍，特别是肥胖症、暴食症、厌食症、过度进食和糖尿病。

  公开号：

  WO2004039764A1
• 作为产物：
  描述：

  (2-chloro-4-trifluoromethyl-phenoxy)-acetic acid ethyl ester 在 sodium hydroxide 、 乙醇 、 水 、 盐酸 作用下， 反应 1.0h， 以58%的产率得到2-(2-chloro-4-(trifluoromethyl)phenoxy)acetic acid
  参考文献：
  名称：

  [DE] NEUE AMID-VERBINDUNGEN MIT MCH-ANTAGONISTISCHER WIRKUNG UND DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL
  [EN] NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS
  [FR] NOUVEAUX COMPOSES DE TYPE AMIDE EXERÇANT UNE ACTION ANTAGONISTE SUR L'HORMONE MCH, ET MEDICAMENTS CONTENANT CES COMPOSES

  摘要：

  该发明涉及通式（I）的酰胺化合物，其中基团和残基A、B、b、W、X、Y、Z、R1、R2和R3具有权利要求1中所述的含义。此外，该发明涉及含有至少一种根据本发明的酰胺的药物。由于MCH受体拮抗活性，根据本发明的药物适用于治疗代谢紊乱和/或进食障碍，特别是肥胖症、暴食症、厌食症、过度进食和糖尿病。

  公开号：

  WO2004039764A1

文献信息

• [EN] TRICYCLIC PIPERIDINE COMPOUNDS<br/>[FR] COMPOSÉS PIPÉRIDINIQUES TRICYCLIQUES
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2016177690A1

  公开（公告）日：2016-11-10

  The present invention relates to compounds of the formula (I) wherein R1a, R1b, R2, R3, (R4)n and ring (A) are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), to methods for the preparation of such compounds of formula (I), and especially to their use as TPH modulators.

  本发明涉及式(I)的化合物，其中R1a、R1b、R2、R3、(R4)n和环(A)如描述中所述，其制备方法，其药学上可接受的盐，以及作为药物的用途，含有一个或多个式(I)化合物的药物组合物，制备这种式(I)化合物的方法，特别是作为TPH调节剂的用途。
• [EN] TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE<br/>[FR] COMPOSÉS IMIDAZOLE TRICYCLIQUES COMME INHIBITEURS DE LA TRYPTOPHANE HYDROLASE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2015075025A1

  公开（公告）日：2015-05-28

  The present invention relates to compounds of the formula (I), wherein R1a, R1b, R2, R3, and X are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), to methods for the preparation of such compounds of formula (I), and especially to their use as TPH modulators.

  本发明涉及式(I)的化合物，其中R1a、R1b、R2、R3和X如描述中所述，其制备方法，其药用盐，以及作为药物的用途，含有一个或多个式(I)化合物的药物组合物，制备这种式(I)化合物的方法，特别是它们作为TPH调节剂的用途。
• [EN] TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES<br/>[FR] DERIVES DE TETRAHYDRO-NAPHTHALENE ET D'UREE
  申请人：BAYER HEALTHCARE AG

  公开号：WO2005040100A1

  公开（公告）日：2005-05-06

  This invention relates to tetrahydro-naphthalene and urea derivatives and salts thereof which are useful as active ingredients of pharmaceutical preparations. The tetrahydro-naphthalene and urea derivatives of the present invention have vanilloid receptor (VR1) antagonistic activity, and can be used for the prophylaxis and treatment of diseases associated with VR1 activity, in particular for the treatment of urological diseases or disorders, such as detrusor overactivity (overactive bladder), urinary incontinence, neurogenic detrusor oeractivity (detrusor hyperflexia), idiopathic detrusor overactivity (detrusor instability), benign prostatic hyperplasia, and lower urinary tract symptoms; chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, algesia, nerve injury, ischaemia, neurodegeneration, stroke, and inflammatory disorders such as asthma and chronic obstructive pulmonary (or airways) disease (COPD). BHC 03 2 001-Foreign-Countries - 66 - BHC 03 2 001-Foreign-Countries - 65 -

  这项发明涉及四氢萘和脲衍生物及其盐，这些物质可作为药物制剂的活性成分。本发明的四氢萘和脲衍生物具有辣椒素受体（VR1）拮抗活性，可用于预防和治疗与VR1活性相关的疾病，特别是用于治疗与VR1活性相关的泌尿系统疾病或紊乱，如膀胱过度活动（过度活跃膀胱）、尿失禁、神经源性膀胱过度活动（膀胱过度反射）、特发性膀胱过度活动（膀胱不稳定）、良性前列腺增生、下尿路症状；慢性疼痛、神经病性疼痛、术后疼痛、类风湿性关节炎疼痛、神经痛、神经病、疼痛、神经损伤、缺血、神经退行性疾病、中风，以及哮喘和慢性阻塞性肺病（COPD）等炎症性疾病。BHC 03 2 001-外国国家 - 66 - BHC 03 2 001-外国国家 - 65 -
• Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：US20040152742A1

  公开（公告）日：2004-08-05

  The present invention relates to amide compounds of general formula I 1 wherein the groups and residues A, B, b, W, X, Y, Z, R 1 , R 2 and R 3 have the meanings given in claim 1. Moreover the invention relates to pharmaceutical compositions containing at least one amide according to the invention. In view of the MCH receptor-antagonistic activity the pharmaceutical compositions according to the invention are suitable for the treatment of metabolic disorders and/or eating disorders, particularly obesity, bulimia, anorexia, hyperphagia and diabetes.

  本发明涉及一般式I1的酰胺化合物，其中基团和残基A、B、b、W、X、Y、Z、R1、R2和R3具有权利要求1中给出的含义。此外，本发明涉及至少含有本发明中一种酰胺的药物组合物。鉴于MCH受体拮抗活性，本发明中的药物组合物适用于治疗代谢性疾病和/或进食障碍，特别是肥胖症、暴食症、厌食症、过度进食和糖尿病。
• Tetradydro-Naphthalene And Urea Derivatives
  申请人：Bouchon Axel

  公开号：US20080045546A1

  公开（公告）日：2008-02-21

  This invention relates to tetrahydro-naphthalene and urea derivatives and salts thereof which are useful as active ingredients of pharmaceutical preparations. The tetrahydro-naphthalene and urea derivatives of the present invention have vanilloid receptor (VR1) antagonistic activity, and can be used for the prophylaxis and treatment of diseases associated with VR1 activity, in particular for the treatment of urological diseases or disorders, such as detrusor overactivity (overactive bladder), urinary incontinence, neurogenic detrusor overactivity (detrusor hyperflexia), idiopathic detrusor overactivity (detrusor instability), benign prostatic hyperplasia, and lower urinary tract symptoms; chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, algesia, nerve injury, ischaemia, neurodegeneration, stroke, and inflammatory disorders such as asthma and chronic obstructive pulmonary (or airways) disease (COPD).

  本发明涉及四氢萘和脲衍生物及其盐，其作为制药制剂的活性成分具有vanilloid受体（VR1）拮抗活性，可用于预防和治疗与VR1活性相关的疾病，特别是用于治疗泌尿系统疾病或障碍，如膀胱过度活动（过度活动膀胱），尿失禁，神经源性膀胱过度活动（膀胱过度反射），特发性膀胱过度活动（膀胱不稳定），良性前列腺增生和下尿路症状；慢性疼痛，神经病性疼痛，术后疼痛，类风湿性关节炎疼痛，神经痛，神经病，疼痛，神经损伤，缺血，神经退行性疾病，中风以及哮喘和慢性阻塞性肺（或气道）疾病（COPD）等炎症性疾病。