1-[2-((S)-3-hydroxymethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-phenylcarbamoylmethoxyphenyl]-5-methyl-1H-pyrazole-3-carboxylic acid dibutylamide | 1445778-77-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 1-[2-((S)-3-hydroxymethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-phenylcarbamoylmethoxyphenyl]-5-methyl-1H-pyrazole-3-carboxylic acid dibutylamide
• 英文别名: 1-[2-((S)-3-Hydroxymethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-phenylcarbamoylmethoxy-phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid dibutylamide；1-[5-(2-anilino-2-oxoethoxy)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide
• CAS: 1445778-77-7
• 化学式: C₃₈H₄₅N₅O₅
• 分子量: 651.806
• InChiKey: CXDYBFCXFIFMTL-HKBQPEDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  48
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-chloro-1-[2-((S)-3-hydroxymethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenylcarbamoylmethoxyphenyl]-5-methyl-1H-pyrazole-3-carboxylic acid dibutylamide 、 [3-(3-dibutylcarbamoyl-5-methyl-pyrazol-1-yl)-4-((S)-3-hydroxymethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-phenoxy]-acetic acid 生成 1-[2-((S)-3-hydroxymethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-phenylcarbamoylmethoxyphenyl]-5-methyl-1H-pyrazole-3-carboxylic acid dibutylamide
  参考文献：
  名称：

  US20140343093A1

  摘要：

  公开号：

文献信息

• [EN] COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS<br/>[FR] COMPOSÉS INHIBITEURS DE L'INTERACTION ENTRE BCL2 ET DES PARTENAIRES DE LIAISON
  申请人：NOVARTIS AG

  公开号：WO2013096059A1

  公开（公告）日：2013-06-27

  The present invention relates to compounds of formula I: in which R1, R2, R3 and R4 are as defined in the Summary of the Invention. Compounds of formula I are capable of disrupting the BCL-2 interations with proteins containing a BH3 domain. Disrupting this interaction can restore the anti-apoptotic function of BCL-2 in cancer cells and tumor tissue expressing BCL-2. The invention further provides a process for the preparation of compounds of the invention, pharmaceutical preparations comprising such compounds and methods of using such compounds in the treatment of cancerous diseases.

  本发明涉及以下式I的化合物：其中R1、R2、R3和R4如发明摘要中所定义。式I的化合物能够干扰BCL-2与含有BH3结构域的蛋白质的相互作用。干扰这种相互作用可以恢复BCL-2在表达BCL-2的癌细胞和肿瘤组织中的抗凋亡功能。本发明还提供了一种制备本发明化合物的方法，包括含有这种化合物的药物制剂以及使用这种化合物治疗癌症疾病的方法。
• Chemical entities that kill senescent cells for use in treating age-related disease
  申请人：Unity Biotechnology, Inc.

  公开号：US10195213B2

  公开（公告）日：2019-02-05

  Disclosed herein are compounds that are effective for treatment of various disease states associated with senescence. The disclosed compounds can be used to eliminate senescent cells for disease treatment. The dosing of the compounds includes both single administration and regimens of cycling dosages.

  本文公开的化合物可有效治疗与衰老有关的各种疾病状态。所公开的化合物可用于消除衰老细胞以治疗疾病。化合物的给药方式包括单次给药和循环给药。
• COMPOUNDS AND THERAPEUTIC USES
  申请人：Unity Biotechnology, Inc.

  公开号：US20170281649A1

  公开（公告）日：2017-10-05

  Disclosed herein are compounds that are effective for treatment of various disease states associated with senescence. The disclosed compounds can be used to eliminate senescent cells for disease treatment. The dosing of the compounds includes both single administration and regimens of cycling dosages.
• US9126979B2
  申请人：——

  公开号：US9126979B2

  公开（公告）日：2015-09-08