2-(1H-苯并[d][1,2,3]噻唑-1-基)-2-(((苄氧基)羰基)氨基)乙酸 | 124676-19-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(1H-苯并[d][1,2,3]噻唑-1-基)-2-(((苄氧基)羰基)氨基)乙酸
• 中文别名: (苯并三唑-1-基)(苄氧羰基氨基)乙酸
• 英文名称: 2-(benzotriazol-1-yl)-N-(benzyloxycarbonyl)glycine
• 英文别名: 1H-1,2,3-benzotriazol-1-yl{[(benzyloxy)carbonyl]amino}acetic acid；2-(1H-benzo[d][1,2,3]triazol-1-yl)-2-(((benzyloxy)carbonyl)amino)acetic acid；2-(1H-benzo[d][1,2,3]triazol-1-yl)-2-(benzyloxycarbonylamino)acetic acid；2-(benzotriazol-1-yI)-2-(benzyloxycarbonylamino)acetic acid；N-benzyloxycarbonyl-2-(benzotriazol-1-yl)glycine；2-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)acetic acid
• CAS: 124676-19-3
• 化学式: C₁₆H₁₄N₄O₄
• 分子量: 326.312
• InChiKey: BNCGQJZQVLAXAB-UHFFFAOYSA-N

物化性质

• 熔点：
  162-164℃
• 沸点：
  596.4±50.0 °C(Predicted)
• 密度：
  1.43

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温且干燥

反应信息

• 作为反应物：
  描述：

  2-(1H-苯并[d][1,2,3]噻唑-1-基)-2-(((苄氧基)羰基)氨基)乙酸 在 4-二甲氨基吡啶 、 氨 、 potassium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 3.0h， 生成 benzyl N-[1-(2-hydroxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of benzodiazepine-based SUMO-specific protease 1 inhibitors

  摘要：

  As the best-characterized ubiquitin-like protein (UBL), small ubiquitin-related modifier (SUMO) was found to conjugate with a number of proteins to regulate cellular functions including transcription, signal transduction, and cell cycle. While E1, E2 and E3 ligases are responsible for the forward SUMOylation reaction, SUMO-specific proteases (SENPs) reversibly remove SUMO from the SUMOylated proteins. Recently, SENP1 was found to be a potential therapeutic target for the treatment of prostate cancers, but the design and synthesis of its inhibitors have not been reported. We designed and synthesized a series of benzodiazepine-based SENP1 inhibitors, and they showed inhibitory activity as good as IC(50) = 9.2 mu M (compound 38). The structure-activity relationship was also discussed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.101
• 作为产物：
  描述：

  乙醛酸 、 氨基甲酸苄酯 以78的产率得到2-(1H-苯并[d][1,2,3]噻唑-1-基)-2-(((苄氧基)羰基)氨基)乙酸
  参考文献：
  名称：

  J. Med. Chem. 1997, 40, 331-341

  摘要：

  DOI：

文献信息

• [EN] COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS<br/>[FR] AGENTS PHARMACEUTIQUES EN COMBINAISON EN TANT QU'INHIBITEURS DE RSV
  申请人：ENANTA PHARM INC

  公开号：WO2019067864A1

  公开（公告）日：2019-04-04

  The present invention relates to pharmaceutical agents administered to a subject either in combination or in series for the treatment of a Respiratory Syncytial Virus (RSV) infection, wherein treatment comprises administering a compound effective to inhibit the function of the RSV and an additional compound or combinations of compounds having anti-RSV activity.

  本发明涉及用于治疗呼吸道合胞病毒（RSV）感染的药物剂，该药物剂可以单独或连续给予受试者，治疗包括给予一种有效抑制RSV功能的化合物以及具有抗RSV活性的另一种化合物或化合物组合。
• Cyclic amino acid compounds pharmaceutical compositions comprising same and methods for inhibiting &bgr;-amyloid peptide release and/or its synthesis by use of such compounds
  申请人：Elan Pharmaceuticals, Inc.

  公开号：US06528505B1

  公开（公告）日：2003-03-04

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  公开了抑制β-淀粉样肽释放和/或其合成的化合物，因此可用于治疗阿尔茨海默病。还公开了包含抑制β-淀粉样肽释放和/或其合成的化合物的药物组合物，以及使用这些药物组合物预防性和治疗性治疗阿尔茨海默病的方法。
• Condensed Azepine Derivatives As Bromodomain Inhibitors
  申请人：Crowe Miriam

  公开号：US20120202799A1

  公开（公告）日：2012-08-09

  Benzodiazepine compounds of formula (I) and salts thereof, pharmaceutical compositions containing such compounds and their use in therapy.

  苯二氮卓类化合物的化学式（I）及其盐，含有这类化合物的药物组合物以及它们在治疗中的应用。
• Novel compounds useful for bradykinin B1 receptor antagonism
  申请人：Tung S. Jay

  公开号：US20060217362A1

  公开（公告）日：2006-09-28

  Disclosed are compounds that are bradykinin B 1 receptor antagonists and are useful for treating diseases, or relieving adverse symptoms associated with disease conditions, in mammals mediated by bradykinin B 1 receptor. Certain of the compounds exhibit increased potency and are also expected to exhibit increased duration of action.

  揭示了一些化合物，它们是激肽酶B1受体拮抗剂，可用于治疗哺乳动物中由激肽酶B1受体介导的疾病，或缓解与疾病状况相关的不良症状。其中某些化合物表现出增强的效力，并且预计还将表现出延长的作用持续时间。
• [EN] BENZODIAZEPINE DERIVATIVES AS CCK2/GASTRIN RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE BENZODIAZÉPINE À TITRE D'ANTAGONISTES DES RÉCEPTEURS DE CCK2/GASTRINE
  申请人：TRIO MEDICINES LTD

  公开号：WO2016020698A1

  公开（公告）日：2016-02-11

  The invention relates to benzodiazepine derivatives of formula (A) useful as CCK2/gastrin receptor antagonists, their preparation and their use in the treatment or prevention of disorders associated with CCK2/gastrin receptors, disorders caused by or associated with hypergastrinaemia, and gastric acid-related disorders.

  这项发明涉及一种公式（A）的苯二氮卓衍生物，可用作CCK2/胃泌素受体拮抗剂，其制备以及在治疗或预防与CCK2/胃泌素受体相关的疾病、由高胃泌素血症引起或相关的疾病以及胃酸相关疾病中的使用。