(S)-2-(4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(2-(4-methylpiperazin-1-yl)ethyl)acetamide | 1349067-90-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烯杂卓类
• 英文名称: (S)-2-(4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(2-(4-methylpiperazin-1-yl)ethyl)acetamide
• 英文别名: 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
• CAS: 1349067-90-8
• 化学式: C₂₆H₃₂ClN₇OS
• 分子量: 526.105
• InChiKey: CVPIVJUAWTWRAZ-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• [EN] MALE CONTRACEPTIVE COMPOSITIONS AND METHODS OF USE<br/>[FR] COMPOSITIONS CONTRACEPTIVES POUR LES HOMMES ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2011143657A1

  公开（公告）日：2011-11-17

  The invention relates to compositions and methods for effecting male contraception.

  这项发明涉及用于实现男性避孕的组合物和方法。
• 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS
  申请人：THE REGENTS OF THE UNIVERSITY OF MICHIGAN

  公开号：US20150246923A1

  公开（公告）日：2015-09-03

  The present disclosure provides substituted 9H-pyrimido[4,5-b]indoles and 5H-pyrido[4,3-b]indoles and related analogs represented by Formula I: and the pharmaceutically acceptable salts, hydrates, and solvates thereof, wherein R 1a , A, B 1 , B 2 , G, X 1 , Y 1 , Y 2 , and Y 3 are as defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula I to treat a condition or disorder responsive to inhibition of BET bromodomains. Compounds of the present disclosure are especially useful for treating cancer.

  本公开提供了代表为式I的替代的9H-嘧啶并[4,5-b]吲哚和5H-吡啶并[4,3-b]吲哚及相关类似物的药用可接受的盐、水合物和溶剂合物，其中R1a、A、B1、B2、G、X1、Y1、Y2和Y3如规范中所定义。本公开还涉及使用式I的化合物来治疗对BET溴结构域抑制敏感的状况或疾病。本公开的化合物特别适用于治疗癌症。
• [EN] COMPOSITIONS AND METHODS FOR MODULATING METABOLISM<br/>[FR] COMPOSITIONS ET PROCÉDÉS PERMETTANT DE MODULER UN MÉTABOLISME
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2011143651A1

  公开（公告）日：2011-11-17

  The invention provides compositions comprising an effective amount of an agent that inhibits a BET protein (e.g., Brd2, Brd3, Brd4), and methods of using such compositions for treating or preventing metabolic syndrome, obesity, type II diabetes, insulin resistance, and related disorders characterized by undesirable alterations in metabolism or fat accumulation.

  本发明提供了含有效量抑制BET蛋白（例如Brd2、Brd3、Brd4）的药物的组合物，以及使用这样的组合物治疗或预防代谢综合征、肥胖症、2型糖尿病、胰岛素抵抗和与代谢或脂肪积累不良变化相关的疾病的方法。
• Thienotriazolodiazepine compounds for treating neoplasia
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：EP2902030A1

  公开（公告）日：2015-08-05

  The invention features compositions for treating or preventing a neoplasia. More specifically, the invention provides thienotriazolodiazepine compounds for disrupting the interaction of a BET family polypeptide comprising a bromodomain with chromatin (e.g., disrupting a bromodomain interaction with an acetyl-lysine modification present on a histone N-terminal tail).

  本发明的特征是用于治疗或预防肿瘤的组合物。更具体地说，本发明提供了噻吩三唑二氮杂卓化合物，用于破坏包含溴多聚酶链的 BET 家族多肽与染色质的相互作用（例如，破坏溴多聚酶链与存在于组蛋白 N 端尾巴上的乙酰-赖氨酸修饰的相互作用）。
• PROTEIN DEGRADATION TARGETING COMPOUND, ANTI-TUMOR APPLICATION, INTERMEDIATE THEREOF AND USE OF INTERMEDIATE
  申请人：ShanghaiTech University

  公开号：EP3778590A1

  公开（公告）日：2021-02-17

  The present disclosure relates to compounds of formula (I) and their anti-tumor uses, and their intermediates of formula (III), intermediates of formula (IV), and uses of the intermediates. The compound of formula (I) has a degrading effect on a specific target protein, which is mainly composed of three parts. The first part is a small molecule compound (SMBP, Small Molecules Binding Protein) that can bind to a protein, the second part LIN is a linker, and the three-part ULM is a ubiquitin ligand (ULM, Ubiquitin Ligase Binding Moiety), wherein SMBP is covalently bound to LIN, and LIN is covalently bound to ULM. A series of compounds designed and synthesized in the present disclosure have a wide range of pharmacological activities, including the functions of degrading specific proteins and/or inhibiting activities of specific proteins, and thus can be used in related tumor treatments.

  本公开涉及式（I）化合物及其抗肿瘤用途，以及它们的式（III）中间体、式（IV）中间体及其用途。式（I）化合物对特定靶蛋白具有降解作用，主要由三部分组成。第一部分是能与蛋白质结合的小分子化合物（SMBP，Small Molecules Binding Protein），第二部分 LIN 是连接体，三部分 ULM 是泛素配体（ULM，Ubiquitin Ligase Binding Moiety），其中 SMBP 与 LIN 共价结合，LIN 与 ULM 共价结合。本公开中设计和合成的一系列化合物具有广泛的药理活性，包括降解特定蛋白质和/或抑制特定蛋白质活性的功能，因此可用于相关的肿瘤治疗。