(S)-2-(1-hydroxybut-2-ylamino)-8-isopropyl-4-[4-(thiophen-3-yl)benzylamino]pyrazolo[1,5-a]-1,3,5-triazine | 1244954-76-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: (S)-2-(1-hydroxybut-2-ylamino)-8-isopropyl-4-[4-(thiophen-3-yl)benzylamino]pyrazolo[1,5-a]-1,3,5-triazine
• 英文别名: (2S)-2-[[8-propan-2-yl-4-[(4-thiophen-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol
• CAS: 1244954-76-4
• 化学式: C₂₃H₂₈N₆OS
• 分子量: 436.581
• InChiKey: BXHUJHSWZZFZEC-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  116
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• PYRAZOLO[1,5-A]-1,3,5-TRIAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF
  申请人：Meijer Laurent

  公开号：US20120184557A1

  公开（公告）日：2012-07-19

  A compound of formula (I), or a pharmaceutically acceptable salt thereof, where R 1 is a (C 1 -C 6 )alkyl or (C 3 -C 6 )cycloalkyl group; R 2 is a (C 1 -C 6 )alkyl, (C 3 -C 6 )cycloalkyl, (C 1 -C 6 )alkenyl, (C 1 -C 6 )fluoroalkyl, (C 1 -C 3 )fluoroalkoxy, or (C 1 -C 6 )alkoxy(C 1 -C 6 )alkyl group, substituted: (i) with one to three hydroxyl groups, or (ii) with an NR a R b group, where R a and R b are independently a hydrogen atom or a (C 1 -C 3 )alkyl group; or a pyrrolidinylmethyl group substituted with one to three hydroxyl groups; R 9 is the same as R 2 or hydrogen; the R 2 and R 9 groups independently being substitutable with an —OCOR 3 group, where R 3 is a natural or unnatural amino acid derivative or a piperidyl group; alternatively, R 2 and R 9 together form a heterocyclic compound; X and Y are independently a substitutable phenyl or heteroaryl group, the heteroaryl group being a thienyl, pyridyl, pyrimidinyl, thiazolyl, pyrrolyl, or furanyl group; and R 6 is a hydrogen or a (C 1 -C 3 )alkyl group.

  化合物的化学式（I）或其药用可接受的盐，其中R1是（C1-C6）烷基或（C3-C6）环烷基；R2是（C1-C6）烷基，（C3-C6）环烷基，（C1-C6）烯基，（C1-C6）氟烷基，（C1-C3）氟烷氧基或（C1-C6）烷氧（C1-C6）烷基，取代：（i）具有一到三个羟基，或（ii）具有NRaRb基团，其中Ra和Rb独立地是氢原子或（C1-C3）烷基；或者取代有一到三个羟基的吡咯甲基基团；R9与R2或氢相同；R2和R9基团可独立地被取代为—OCOR3基团，其中R3是天然或非天然氨基酸衍生物或哌啶基团；或者，R2和R9共同形成一个杂环化合物；X和Y是可独立取代的苯基或杂芳基，杂芳基是噻吩基，吡啶基，嘧啶基，噻唑基，吡咯基或呋喃基；R6是氢或（C1-C3）烷基。
• DERIVÉS DE PYRAZOLO[1,5-A]-1,3,5-TRIAZINES, LEUR PREPARATION ET LEUR APPLICATION EN THÉRAPEUTIQUE
  申请人：Centre National de la Recherche Scientifique (C.N.R.S.)

  公开号：EP2406263B1

  公开（公告）日：2013-09-25
• DERIVES DE PYRAZOLO[1,5-A]-1,3,5-TRIAZINES, LEUR PREPARATION ET LEUR APPLICATION EN THERAPEUTIQUE
  申请人：Centre National de la Recherche Scientifique (C.N.R.S.)

  公开号：EP2406263A1

  公开（公告）日：2012-01-18
• 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.
• US8691982B2
  申请人：——

  公开号：US8691982B2

  公开（公告）日：2014-04-08