(rac)-6-(4-fluoro-2-methoxyphenyl)-N-{4-[(S-methylsulfonimidoyl)methyl]-6-(trifluoromethyl)pyridin-2yl}pyrimidin-4-amine | 1610462-78-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (rac)-6-(4-fluoro-2-methoxyphenyl)-N-{4-[(S-methylsulfonimidoyl)methyl]-6-(trifluoromethyl)pyridin-2yl}pyrimidin-4-amine
• 英文别名: 6-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]-6-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
• CAS: 1610462-78-6
• 化学式: C₁₉H₁₇F₄N₅O₂S
• 分子量: 455.436
• InChiKey: BYCJOJLDGATDTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  4-氟-2-甲氧基苯硼酸 在 N-甲基吡咯烷酮 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 Oxone 、 potassium phosphate 、 1,3-二溴-5,5-二甲基海因 、 chloro(2-dicyclohexylphosphino-2',4',6'-tri-iso-propyl-1,1'-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II) methyl-tert-butyl ether adduct 、 水 、 potassium carbonate 、 potassium hydroxide 、 sodium t-butanolate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 、 甲醇 、 乙二醇二甲醚 、 甲苯 为溶剂， 反应 14.67h， 生成 (rac)-6-(4-fluoro-2-methoxyphenyl)-N-{4-[(S-methylsulfonimidoyl)methyl]-6-(trifluoromethyl)pyridin-2yl}pyrimidin-4-amine
  参考文献：
  名称：

  [EN] N-(PYRIDIN-2-YL)PYRIMIDIN-4-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP
  [FR] DÉRIVÉS N-(PYRIDIN-2-YL)PYRIMIDIN-4-AMINES CONTENANT UN GROUPE SULFOXIMINE

  摘要：

  本发明涉及一种含有磺酰亚胺基团的二取代N-(吡啶-2-基)嘧啶-4-胺衍生物，其一般式(I)如所述和定义，并且涉及其制备方法，以及它们用于治疗和/或预防疾病，特别是增生性疾病和/或病毒感染性疾病和/或心血管疾病的方法。本发明还涉及用于制备所述一般式(I)化合物的中间体化合物。

  公开号：

  WO2014076111A1

文献信息

• N-(PYRIDIN-2-YL)PYRIMIDIN-4-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP
  申请人：BAYER PHARAM AKTIENGESELLSCHAFT

  公开号：US20150291559A1

  公开（公告）日：2015-10-15

  The present invention relates to disubstituted N-(pyridin-2-yl)pyrimidin-4-amine derivatives containing a sulfoximine group of general formula (I) as described and defined herein, and methods for their preparation, their use for the treatment and/or prophylaxis of disorders, in particular of hyper-proliferative disorders and/or virally induced infectious diseases and/or of cardiovascular diseases. The invention further relates to intermediate compounds useful in the preparation of said compounds of general formula (I).

  本发明涉及含有一种磺酰亚胺基团的二取代N-(吡啶-2-基)嘧啶-4-胺衍生物，其通式（I）如本文所述和定义的，以及它们的制备方法、它们用于治疗和/或预防疾病，特别是增生性疾病和/或病毒感染性疾病和/或心血管疾病的治疗。本发明还涉及在制备通式（I）所述化合物中有用的中间体化合物。
• METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE
  申请人：Design Therapeutics, Inc.

  公开号：US20210238226A1

  公开（公告）日：2021-08-05

  The present disclosure relates to compounds and methods for modulating the expression of dmpk, atxn1, atxn2, atxn3, cacna1a, atxn7, ppp2r2br tbp, htt, jph3r ar, or atn1 and treating diseases and conditions in which dmpk, atxn1, atxn2, atxn3, cacna1a, atxn1, ppp2r2b, tbp, htt, jph3, ar, or atn1 plays an active role. The compound can be a transcription modulator molecule having a first terminus, a second terminus, and oligomeric backbone, wherein: a) the first terminus comprises a DNA-binding moiety capable of noncovalently binding to a nucleotide repeat sequence CAG or CTG; b) the second terminus comprises a protein-binding moiety binding to a regulatory molecule that modulates an expression of a gene comprising the nucleotide repeat sequence CAG or CTG; and c) the oligomeric backbone comprising a linker between the first terminus and the second terminus.
• US9650361B2
  申请人：——

  公开号：US9650361B2

  公开（公告）日：2017-05-16
• [EN] N-(PYRIDIN-2-YL)PYRIMIDIN-4-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP<br/>[FR] DÉRIVÉS N-(PYRIDIN-2-YL)PYRIMIDIN-4-AMINES CONTENANT UN GROUPE SULFOXIMINE
  申请人：BAYER PHARMA AG

  公开号：WO2014076111A1

  公开（公告）日：2014-05-22

  The present invention relates to disubstituted N-(pyridin-2-yl)pyrimidin-4-amine derivatives containing a sulfoximine group of general formula (I) as described and defined herein, and methods for their preparation, their use for the treatment and/ or prophylaxis of disorders, in particular of hyper- proliferative disorders and/or virally induced infectious diseases and/or of cardiovascular diseases. The invention further relates to intermediate compounds useful in the preparation of said compounds of general formula (I).

  本发明涉及一种含有磺酰亚胺基团的二取代N-(吡啶-2-基)嘧啶-4-胺衍生物，其一般式(I)如所述和定义，并且涉及其制备方法，以及它们用于治疗和/或预防疾病，特别是增生性疾病和/或病毒感染性疾病和/或心血管疾病的方法。本发明还涉及用于制备所述一般式(I)化合物的中间体化合物。