3,4,5-Trifluoro-2-methylbenzoic acid | 1806371-38-9

• 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: 3,4,5-Trifluoro-2-methylbenzoic acid
• CAS: 1806371-38-9
• 化学式: C₈H₅F₃O₂
• 分子量: 190.12
• InChiKey: XXNXXWWVQMDRHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] SELECTIVE HDAC6 INHIBITORS<br/>[FR] INHIBITEURS SÉLECTIFS DE HDAC6
  申请人：ITALFARMACO SPA

  公开号：WO2018189340A1

  公开（公告）日：2018-10-18

  The present invention relates to novel benzohydroxamic compounds of formula (I) and (II) and pharmaceutically acceptable salts, isomers and prodrugs thereof, exhibiting a high selective inhibitory activity against histone deacetylase 6 (HDAC6) enzyme.

  本发明涉及一种新型苯羟羟肟化合物的化学式(I)和(II)，以及其药用可接受的盐、异构体和前药，表现出对组蛋白去乙酰化酶6（HDAC6）酶具有高选择性抑制活性。
• [EN] NOVEL PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE<br/>[FR] NOUVEAUX DERIVES DE PHENYLAMINOPYRIMIDINE EN TANT QU'INHIBITEURS DE BCR-ABL KINASE
  申请人：NATCO PHARMA LTD

  公开号：WO2006027795A1

  公开（公告）日：2006-03-16

  The present invention relates to novel intermediates useful for the preparation of novel phenylaminopyrimidine derivatives, novel phenylaminopyrimidine derivatives. Pharmaceutical composition containing the novel phenylaminopyrimidine derivatives and processes for their preparation. The invention particularly relates to novel Phenyl pyrimidine amine derivatives of the general formula (I). The novel compounds of the formula 1 can be used in the therapy of Chronic Myeloid Leukemia (CML). Since the IC₅₀; 191 values of these molecules are in the range 0.1 to 10.0 nm, these novel compounds are potentially useful for the treatment of CML.

  本发明涉及用于制备新型苯基氨基嘧啶衍生物的中间体，新型苯基氨基嘧啶衍生物。含有新型苯基氨基嘧啶衍生物的药物组合物及其制备方法。本发明特别涉及一般式（I）的新型苯基嘧啶胺衍生物。一般式1的新化合物可用于慢性髓细胞白血病（CML）的治疗。由于这些分子的IC₅₀；191值在0.1至10.0 nm范围内，这些新型化合物有望用于治疗CML。
• Common ligand mimics: thiazolidinediones and rhodanines
  申请人：Yu Lin

  公开号：US20050042674A9

  公开（公告）日：2005-02-24

  The present invention provides common ligand mimics that act as common ligands for a receptor family. The present invention also provides bi-ligands containing these common ligand mimics. Bi-ligands of the invention provide enhanced affinity and/or selectivity of ligand binding to a receptor or receptor family through the synergistic action of the common ligand mimic and specificity ligand which compose the bi-ligand. The present invention also provides combinatorial libraries containing the common ligand mimics and bi-ligands of the invention. Further, the present invention provides methods for manufacturing the common ligand mimics and bi-ligands of the invention and methods for assaying the combinatorial libraries of the invention.

  本发明提供了作为受体家族通用配体的通用配体模拟物。本发明还提供了含有这些通用配体模拟物的双配体。本发明的双配体通过通用配体模拟物和组成双配体的特异性配体的协同作用，提供了对受体或受体家族的配体结合的增强亲和力和/或选择性。本发明还提供了含有通用配体模拟物和本发明的双配体的组合库。此外，本发明还提供了制造通用配体模拟物和本发明的双配体的方法以及检测本发明的组合库的方法。
• Common ligand mimics: pseudothiohydantoins
  申请人：Dong Qing

  公开号：US20050019825A9

  公开（公告）日：2005-01-27

  The present invention provides common ligand mimics that act as common ligands for a receptor family. The present invention also provides bi-ligands containing these common ligand mimics. Bi-ligands of the invention provide enhanced affinity and/or selectivity of ligand binding to a receptor or receptor family through the synergistic action of the common ligand mimic and specificity ligand that compose the bi-ligand. The present invention also provides combinatorial libraries containing the common ligand mimics and bi-ligands of the invention. Further, the present invention provides methods for manufacturing the common ligand mimics and bi-ligands of the invention and methods for assaying the combinatorial libraries of the invention.

  本发明提供了作为受体家族通用配体的通用配体模拟物。本发明还提供了含有这些通用配体模拟物的双配体。本发明的双配体通过通用配体模拟物和构成双配体的特异性配体的协同作用，提供了对受体或受体家族的配体结合的增强亲和力和/或选择性。本发明还提供了包含通用配体模拟物和本发明的双配体的组合化学库。此外，本发明还提供了制造通用配体模拟物和本发明的双配体的方法，以及对本发明的组合化学库进行检测的方法。
• PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE
  申请人：KOMPELLA Amala Kishan

  公开号：US20080306100A1

  公开（公告）日：2008-12-11

  The present invention relates to novel intermediates useful for the preparation of novel phenylaminopyrimidine derivatives, novel phenylaminopyrimidine derivatives. Pharmaceutical composition containing the novel phenylaminopyrimidine derivatives and processes for their preparation. The invention particularly relates to novel Phenyl pyrimidine amine derivatives of the general formula (I). The novel compounds of the formula 1 can be used in the therapy of Chronic Myeloid Leukemia (CML). Since the IC 50 ; 191 values of these molecules are in the range 0.1 to 10.0 nm, these novel compounds are potentially useful for the treatment of CML. The present invention relates to a particular form of the (3,5-bis trifluoromethyl)-N-[4-methyl-3-(4-pyridin-3yl-pyrimidin-2ylamino)-phenyl]-benzamide (formula I), processes for the preparation thereof, pharmaceutical compositions containing this crystal form, and their use as anti tumor agent in humans. The compound of formula I, also known as AN-019, is: This invention relates to a process for the preparation of (3-trifluoromethylsulfonyl)-N-[4-methyl-3-(4-pyridin-3yl-pyrimidin-2ylamino)-phenyl]-benzamide (formula (I)) starting from 4-methyl-2-nitro-aniline (formula (II)) through intermediates (3-trifluoromethylsulfonyl)-N-[4-methyl-3-nitrophenyl]-benzamide (formula (III)), (3-trifluoromethylsulfonyl)-N-[3-amino-4-methylphenyl]-benzamide (formula (IV)) and (3-trifluoromethylsulfonyl)-N-[ 3 -guanidino- 4 -methylphenyl]-benzamide (formula (V)). This invention also relates to processes for the preparation of these intermediates. The compound of formula (I), also known as AN-024, is:

  本发明涉及用于制备新的苯基氨基嘧啶衍生物的新中间体，新的苯基氨基嘧啶衍生物，含有这些新的苯基氨基嘧啶衍生物的制药组合物以及它们的制备过程。本发明特别涉及一般式（I）的新苯基嘧啶胺衍生物。公式1的新化合物可用于慢性髓细胞白血病（CML）的治疗。由于这些分子的IC50; 191值在0.1至10.0纳米的范围内，这些新化合物有潜在的用于治疗CML的作用。本发明涉及一种特定形式的（3,5-双三氟甲基）-N- [4-甲基-3-（4-吡啶-3-基-嘧啶-2-基氨基）-苯基] -苯甲酰胺（公式I），其制备过程，含有该晶体形式的制药组合物，以及它们在人体内作为抗肿瘤剂的用途。公式I的化合物，也称为AN-019，是：本发明涉及一种从4-甲基-2-硝基苯胺（公式（II））通过中间体（3-三氟甲基磺酰基）-N- [4-甲基-3-硝基苯基] -苯甲酰胺（公式（III）），（3-三氟甲基磺酰基）-N- [3-氨基-4-甲基苯基] -苯甲酰胺（公式（IV））和（3-三氟甲基磺酰基）-N- [3-胍基-4-甲基苯基] -苯甲酰胺（公式（V））开始制备（3-三氟甲基磺酰基）-N- [4-甲基-3-（4-吡啶-3-基-嘧啶-2-基氨基）-苯基] -苯甲酰胺（公式（I））的过程。本发明还涉及制备这些中间体的过程。公式（I）的化合物，也称为AN-024，是：