3-环丁烯-1,2-二酮,3,4-二(1-甲基乙基)-(9CI) | 138151-74-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-环丁烯-1,2-二酮,3,4-二(1-甲基乙基)-(9CI)
• 英文名称: 3,4-diisopropyl-3-cyclobutene-1,2-dione
• 英文别名: 3,4-Di(propan-2-yl)cyclobut-3-ene-1,2-dione
• CAS: 138151-74-3
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: TYJFSUYUXGOXGB-UHFFFAOYSA-N

物化性质

• 沸点：
  238.6±23.0 °C(Predicted)
• 密度：
  1.055±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-环丁烯-1,2-二酮,3,4-二(1-甲基乙基)-(9CI) 在 三乙胺 、 苯胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (3S,6S,10aS)-N-(3-(2-isopropoxy-3,4-dioxocyclobut-1-enylamino)benzyl)-6-((S)-2-(methylamino)propanamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide
  参考文献：
  名称：

  LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN

  摘要：

  本发明涉及酶抑制剂。更具体地说，本发明涉及配体导向的蛋白共价修饰；相同设计方法；相同的药物配方；以及使用方法。

  公开号：

  US20110269244A1
• 作为产物：
  描述：

  Disilver;3,4-dioxocyclobutene-1,2-diolate 、 2-氯丙烷 以80%的产率得到
  参考文献：
  名称：

  DEHMLOW E. V.; SCHELL H. G., CHEM. BER., 1980, 113, NO 1, 1-8

  摘要：

  DOI：

文献信息

• NOVEL CHEMOKINE CXCR1 AND CXCR2 RECEPTOR ANTAGONIST COMPOUNDS, AND USE THEREOF IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES
  申请人：GALDERMA RESEARCH & DEVELOPMENT

  公开号：US20170349575A1

  公开（公告）日：2017-12-07

  Novel chemokine CXCR1 and CXCR2 receptor antagonist compounds of general formula (I) are described. Also described, are pharmaceutical compositions including the compounds, and use of the compounds and the compositions for the treatment of chemokine-mediated pathologies, more specifically in the field of dermatology.

  描述了一种通用式（I）的新型趋化因子CXCR1和CXCR2受体拮抗剂化合物。还描述了包括这些化合物的药物组合物，以及用于治疗趋化因子介导的病理生理学，更具体地说是在皮肤病学领域中使用这些化合物和组合物的方法。
• RENIN INHIBITORS
  申请人：Baldwin John J.

  公开号：US20100190829A1

  公开（公告）日：2010-07-29

  Described are compounds that bind to aspartic proteases to inhibit their activity. They are useful in the treatment or amelioration of diseases associated with aspartic protease activity. Also described are methods of use of the compounds described herein in ameliorating or treating aspartic protease related disorders in a subject in need thereof.

  描述了结合到天冬氨酸蛋白酶以抑制其活性的化合物。它们在治疗或改善与天冬氨酸蛋白酶活性相关的疾病中很有用。还描述了在需要的受试者中使用这些化合物来改善或治疗与天冬氨酸蛋白酶相关的疾病的方法。
• Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues
  申请人：The Board of Regents of the Nevada System of Higher Education on Behalf of the University of Ne

  公开号：US20170267707A1

  公开（公告）日：2017-09-21

  Provided herein are α-aminophosphonates and methods for making same. Also provided are N-heterocyclic phosphines (NHPs) useful in metal-free phosphorus-carbon bond forming reactions such as, for example, in the preparation of α-aminophosphonates. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本文提供了α-氨基膦酸酯及其制备方法。还提供了在无金属催化的磷-碳键形成反应中有用的N-杂环膦(NHP)，例如在制备α-氨基膦酸酯中使用。本摘要旨在作为特定领域搜索的扫描工具，不限制本发明。
• Diaminoalkane Aspartic Protease Inhibitors
  申请人：Baldwin John J.

  公开号：US20090018103A1

  公开（公告）日：2009-01-15

  Diaminoalkanes of Formula I have now been found which are orally active and bind to aspartic proteases to inhibit their activity. They are useful in the treatment or amelioration of diseases associated with elevated levels of aspartic protease activity. The invention also relates to a method for the use of the compounds of Formula I in ameliorating or treating aspartic protease related disorders in a subject in need thereof comprising administering to said subject an effective amount of a compound of Formula I.

  公式I的Diaminoalkanes现已被发现，它们具有口服活性并结合到天冬氨酸蛋白酶以抑制其活性。它们在治疗或改善与天冬氨酸蛋白酶活性升高相关的疾病方面非常有用。本发明还涉及使用公式I化合物治疗或改善需要的天冬氨酸蛋白酶相关疾病的方法，包括向该受体施用公式I化合物的有效量。
• Renin Inhibitors
  申请人：Baldwin John J.

  公开号：US20090264428A1

  公开（公告）日：2009-10-22

  Described are compounds of the formula (I) which are orally active and bind to aspartic proteases to inhibit their activity. They are useful in the treatment or amelioration of diseases associated with aspartic protease activity. Also described are methods of use of the compounds described herein in ameliorating or treating aspartic protease related disorders in a subject in need thereof.

  本文描述了一种公式（I）的化合物，其具有口服活性并能结合天冬氨酸蛋白酶以抑制其活性。它们可用于治疗或改善与天冬氨酸蛋白酶活性相关的疾病。还描述了在需要改善或治疗天冬氨酸蛋白酶相关疾病的受试者中使用本文所述化合物的方法。