3-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-propenoic acid | 886499-23-6

• 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: 3-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-propenoic acid
• 英文别名: 3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enoic acid
• CAS: 886499-23-6
• 化学式: C₁₀H₆F₄O₃
• 分子量: 250.15
• InChiKey: BMUYHTGYGJGQNY-UHFFFAOYSA-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：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• [EN] ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES<br/>[FR] BENZIMIDAZOLES SUBSTITUÉS PAR UN ISOXAZOLYLE
  申请人：CELLCENTRIC LTD

  公开号：WO2016170324A1

  公开（公告）日：2016-10-27

  A compound which is a benzimidazolyl isoxazole of formula (I): wherein: R0and R, which are the same or different, are each H or C1-6 alkyl; R9, R9 and R9, which are the same or different, are each H or F; X is -(alkn-, -alk-C(=O)-NR-, -alk-NR-C(=O)- or -alk-C(=O)-; R1 is selected from -S(=O)2R'; a 4- to 6-membered, C-linked heterocyclic group which is unsubstituted or substituted; and an N-linked spiro group of the following formula: R2 and R2', which are the same or different, are each H or C1-6 alkyl, or R2 and R2' form, together with the C atom to which they are attached, a C3-6 cycloalkyl group; R3 and R3, which are the same or different, are each H, C1-6 alkyl, OH or F; R4 is phenyl or a 5- to 12-membered, N-containing heteroaryl group and is unsubstituted or substituted; alk is C1-6 alkylene; R' is C1-6 alkyl; and n is 0 or 1; or a pharmaceutically acceptable salt thereof. The compound has activity in modulating the activity of p300 and/or CBP and is used to treat cancer, particularly prostate cancer.

  一种化合物，是一种具有以下结构的苯并咪唑基异唑烷（I）：其中：R0和R，相同或不同，分别为H或C1-6烷基；R9，R9和R9，相同或不同，分别为H或F；X为-(烷基-，-烷基-C(=O)-NR-，-烷基-NR-C(=O)-或-烷基-C(=O)-；R1从-S(=O)2R'，未取代或取代的4-至6-成员的C-连接的杂环基，以及以下式的N-连接的螺环基中选择：R2和R2'，相同或不同，分别为H或C1-6烷基，或者R2和R2'与它们连接的C原子一起形成C3-6环烷基；R3和R3，相同或不同，分别为H，C1-6烷基，OH或F；R4为苯基或未取代或取代的含氮5-至12-成员的杂芳基；烷基为C1-6烷基；R'为C1-6烷基；n为0或1；或其药用盐。该化合物具有调节p300和/或CBP活性的作用，并用于治疗癌症，特别是前列腺癌。
• NEW BICYCLIC DERIVATIVES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20150353559A1

  公开（公告）日：2015-12-10

  The invention provides novel compounds having the general formula (I) wherein R 1 , Y, A, W, R 2 , m, n, p and q are as described herein, compositions including the compounds and methods of using the compounds.

  本发明提供了具有一般式(I)的新化合物，其中R1、Y、A、W、R2、m、n、p和q如此处所述，包括该化合物的组合物以及使用该化合物的方法。
• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP3438109A1

  公开（公告）日：2019-02-06

  The present invention provides a compound having an MAGL inhibitory action, and useful as an agent for the prophylaxis or treatment of neurodegenerative diseases (e.g., Alzheimer's disease, Parkinson's disease, Huntington's disease, amyotrophic lateral sclerosis, traumatic brain injury, glaucoma, multiple sclerosis etc.), anxiety disorder, pains (e.g., inflammatory pain, cancerous pain, neurogenic pain etc.), epilepsy, depression and the like. The present invention relates to a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种具有MAGL抑制作用的化合物，可作为预防或治疗神经退行性疾病（如阿尔茨海默病、帕金森病、亨廷顿病、肌萎缩性脊髓侧索硬化症、脑外伤、青光眼、多发性硬化症等）、焦虑症、疼痛（如炎性疼痛、癌性疼痛、神经源性疼痛等）、癫痫、抑郁症等的药物。 本发明涉及一种由式（I）代表的化合物： 其中各符号如说明书中所定义，或其盐。
• Isoxazolyl substituted benzimidazoles
  申请人：CELLCENTRIC LTD

  公开号：US10118920B2

  公开（公告）日：2018-11-06

  A compound which is a benzimidazolyl isoxazole of formula (I): wherein: R0 and R, which are the same or different, are each H or C1-6 alkyl; R9, R9 and R9, which are the same or different, are each H or F; X is -(alkn-, -alk-C(═O)—NR—, -alk-NR—C(═O)— or -alk-C(═O)—; R1 is selected from —S(═O)2R′; a 4- to 6-membered, C-linked heterocyclic group which is unsubstituted or substituted; and an N-linked spiro group of the following formula: R2 and R2′, which are the same or different, are each H or C1-6 alkyl, or R2 and R2′ form, together with the C atom to which they are attached, a C3-6 cycloalkyl group; R3 and R3, which are the same or different, are each H, C1-6 alkyl, OH or F; R4 is phenyl or a 5- to 12-membered, N-containing heteroaryl group and is unsubstituted or substituted; alk is C1-6 alkylene; R′ is C1-6 alkyl; and n is 0 or 1; or a pharmaceutically acceptable salt thereof. The compound has activity in modulating the activity of p300 and/or CBP and is used to treat cancer, particularly prostate cancer.

  一种化合物，它是式(I)的苯并咪唑基异噁唑： 其中：R0和R（相同或不同）各自是H或C1-6烷基；R9、R9和R9（相同或不同）各自是H或F；X是-(alkn-、-alk-C(═O)-NR-、-alk-NR-C(═O)-或-alk-C(═O)-；R1 选自-S(═O)2R′；未取代或取代的 4 至 6 元 C 链杂环基团；以及下式的 N 联螺基：R2和R2′相同或不同，各自为H或C1-6烷基，或R2和R2′与所连接的C原子一起形成C3-6环烷基；R3和R3相同或不同，各自为H、C1-6烷基、OH或F；R4 是苯基或 5 至 12 元、含 N 的杂芳基，且是未取代或取代的；alk 是 C1-6 亚烷基；R′ 是 C1-6 烷基；n 是 0 或 1；或其药学上可接受的盐。该化合物具有调节 p300 和/或 CBP 活性的活性，可用于治疗癌症，特别是前列腺癌。
• Bicyclic derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US10669268B2

  公开（公告）日：2020-06-02

  The invention provides novel compounds having the general formula (I) wherein R1, Y, A, W, R2, m, n, p and q are as described herein, compositions including the compounds and methods of using the compounds.

  本发明提供了具有通式 (I) 的新型化合物 其中 R1、Y、A、W、R2、m、n、p 和 q 如本文所述。