2H-吡啶并[1,2-a]吡嗪-6-甲醇,八氢-,(6R,9aR)-rel- | 229499-91-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 2H-吡啶并[1,2-a]吡嗪-6-甲醇,八氢-,(6R,9aR)-rel-
• 中文别名: N-(1-哌嗪甲基)丙酰胺
• 英文名称: N-[(Piperazin-1-yl)methyl]propanamide
• 英文别名: N-(piperazin-1-ylmethyl)propanamide
• CAS: 229499-91-6
• 化学式: C₈H₁₇N₃O
• 分子量: 171.24
• InChiKey: CXDPIWHRDPHWAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  44.4
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• [EN] CYANO THIENOTRIAZOLODIAZEPINES AND USES THEREOF<br/>[FR] CYANO-THIÉNOTRIAZOLOAZÉPINES ET LEURS UTILISATIONS
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2017044849A1

  公开（公告）日：2017-03-16

  The present invention provides compounds and pharmaceutically compositions thereof. The compounds and compositions are binders of bromodomains and/or bromodomain-containing proteins (e.g., bromo and extra terminal (BET) proteins). Also provided are methods, uses, and kits using the compounds and pharmaceutical compositions for inhibiting the activity (e.g., increased activity) of bromodomains and/or bromodomain-containing proteins and for treating and/or preventing in a subject diseases associated with bromodomains or bromodomain-containing proteins (e.g., proliferative diseases, cardiovascular diseases, viral infections, fibrotic diseases, metabolic diseases, endocrine diseases, and radiation poisoning). The compounds, pharmaceutical compositions, and kits are also useful for male contraception.
• [EN] SMALL MOLECULES FOR INDUCING SELECTIVE PROTEIN DEGRADATION AND USES THEREOF<br/>[FR] PETITES MOLÉCULES PERMETTANT D'INDUIRE UNE DÉGRADATION SÉLECTIVE DE PROTÉINES ET UTILISATIONS ASSOCIÉES
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2019165229A1

  公开（公告）日：2019-08-29

  Provided herein are bifunctional compounds that bind a target protein (e.g., a selected protein) and/or induce ubiquitination for degradation of the target protein. In particular, provided are compounds that bind a bromodomain or bromodomain-containing protein (e.g., BET proteins) or histone methyltransferases (HMTs, e.g., enhancer of zeste homolog 1 (EZH1), or FKBP12) and can promote its degradation by recruiting it to the ubiquitin receptor RPN13 (e.g., RA190), for proteasomal degradation. Also provided are pharmaceutical compositions comprising the bifunctional compounds, methods of treating and/or preventing diseases (e.g., proliferative diseases, cancers, benign neoplasms, pathological angiogenesis, inflammatory diseases, and autoimmune diseases) and musculoskeletal diseases, and methods of inducing the degradation of a target (e.g., a target protein) by recruiting it to the ubiquitin receptor RPN13 of the proteasome in a subject by administering a compound or composition described herein.