3,5-bis(trifluoromethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide | 879507-25-2

• 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: 3,5-bis(trifluoromethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
• 英文别名: Nrc-AN-019；N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3,5-bis(trifluoromethyl)benzamide
• CAS: 879507-25-2
• 化学式: C₂₅H₁₇F₆N₅O
• 分子量: 517.433
• InChiKey: LCPGCGAJBOWMIP-UHFFFAOYSA-N

物化性质

• 密度：
  1.427±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  79.8
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  3,5-双三氟甲基苯甲酰氯 、 N-(5-氨基-2-甲基苯基)-4-(3-吡啶基)-2-氨基嘧啶 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 2.25h， 生成 3,5-bis(trifluoromethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
  参考文献：
  名称：

  [EN] NOVEL PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE
  [FR] NOUVEAUX DERIVES DE PHENYLAMINOPYRIMIDINE EN TANT QU'INHIBITEURS DE BCR-ABL KINASE

  摘要：

  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。

  公开号：

  WO2006027795A1

文献信息

• CRYSTAL FORM OF PHENYLAMINO PYRIMIDINE DERIVATIVES
  申请人：Kompella Amala kishan

  公开号：US20090227611A1

  公开（公告）日：2009-09-10

  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:

  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（化学式 I），其制备方法，含有该晶体形式的药物组合物，以及其作为人类抗肿瘤药物的用途。化学式 I 的化合物，也被称为 AN-019。
• 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：
• Processes for the preparation of novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase
  申请人：Natco Pharma Limited

  公开号：EP2295424A1

  公开（公告）日：2011-03-16

  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), and corresponding intermediates XV.

  本发明涉及用于制备新型苯氨基嘧啶衍生物、新型苯氨基嘧啶衍生物的新型中间体。含有新型苯氨基嘧啶衍生物的药物组合物及其制备工艺。本发明特别涉及通式(I)的新型苯基嘧啶胺衍生物和相应的中间体 XV。
• COMPOUNDS FOR THE TREATMENT OF COVID-19
  申请人：Dompe' Farmaceutici S.P.A.

  公开号：EP3875078A1

  公开（公告）日：2021-09-08

  The present invention relates to compounds that are able to inhibt 3CL protease of COVID-19 virus, SARS-Cov-2

  本发明涉及能够抑制 COVID-19 病毒、SARS-Cov-2 病毒的 3CL 蛋白酶的化合物。
• Pharmaceutical compositions comprising phenylaminopyrimidine derivative
  申请人：NATCO PHARMA LTD

  公开号：US10383872B2

  公开（公告）日：2019-08-20

  An oral pharmaceutical formulation containing an effective amount of NRC-AN-019 including its pharmaceutically acceptable salts and polymorphs thereof, by dispersing in a polymer system in a final state of subdivision to enhance oral bioavailability. It also relates to processes for the preparation of such compositions and using those compositions for the treatment of Chronic Myeloid Leukemia and other tumors such as head and neck cancer, prostate cancer and the like.

  一种口服药物制剂，含有有效量的 NRC-AN-019，包括其药学上可接受的盐及其多晶型，通过在聚合物体系中分散，以最终细分状态提高口服生物利用度。它还涉及制备此类组合物的工艺，以及使用这些组合物治疗慢性髓性白血病和其他肿瘤，如头颈癌、前列腺癌等。