3-ethyl-2,2-dimethyl-cyclobutanecarboxylic acid | 92772-91-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-ethyl-2,2-dimethyl-cyclobutanecarboxylic acid
• 英文别名: 3-Aethyl-2,2-dimethyl-cyclobutancarbonsaeure；3-Ethyl-2,2-dimethylcyclobutane-1-carboxylic acid
• CAS: 92772-91-3
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: WLYTWPGDPVEFKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (+)-cis-pinononoic acid 生成 3-ethyl-2,2-dimethyl-cyclobutanecarboxylic acid
  参考文献：
  名称：

  Terpene Hydroperoxides. IV. The Thermal Decomposition of Pinane Hydroperoxide. I

  摘要：

  DOI：

  10.1021/ja01650a049

文献信息

• [EN] NOVEL C28-AMIDES WITH C3-MODIFICATIONS OF TRITERPENE DERIVATIVES AS HIV INHIBITORS<br/>[FR] NOUVEAUX AMIDES EN C28 AVEC DES MODIFICATIONS EN C3 DE DÉRIVÉS TRITERPÉNIQUES COMME INHIBITEURS DU VIH
  申请人：HETERO RESEARCH FOUNDATION

  公开号：WO2017025899A1

  公开（公告）日：2017-02-16

  Formula (I) The present invention relates to novel C28-amides with C3-modifications of triterpene compounds of formula (I); or pharmaceutically acceptable salts, pharmaceutically acceptable solvates, pharmaceutically acceptable hydrates, tautomers, stereoisomers, prodrugs or combination thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, X, and Y are as defined herein. The present invention also relates to pharmaceutical compositions comprising compounds of formula (I) useful for the therapeutic treatment of viral mediated diseases and particularly HIV mediated diseases.

  本发明涉及新型的C28酰胺，具有C3修饰的三萜化合物，其公式为(I)；或药用可接受的盐、药用可接受的溶剂化物、药用可接受的水合物、互变异构体、立体异构体、前药或它们的组合，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、X和Y按本发明中定义。本发明还涉及包含公式(I)化合物的药物组合物，用于治疗病毒介导的疾病，特别是HIV介导的疾病。
• LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS
  申请人：PARTHASARADHI REDDY Bandi

  公开号：US20110015196A1

  公开（公告）日：2011-01-20

  The invention relates to novel lupeol-type triterpene derivatives and related compounds, and pharmaceutical compositions useful for therapeutic treatment of viral diseases and particularly HIV mediated diseases.

  这项发明涉及新型鲁皮醇类三萜衍生物及相关化合物，以及用于治疗病毒性疾病特别是HIV介导疾病的药物组合物。
• [EN] NOVEL C28-ANALOGUES WITH C3-MODIFICATIONS OF TRITERPENE DERIVATIVES AS HIV INHIBITORS<br/>[FR] NOUVEAUX ANALOGUES DE C28 À MODIFICATIONS EN C3 DE DÉRIVÉS TRITERPÉNIQUES À UTILISER EN TANT QU'INHIBITEURS DU VIH
  申请人：HETERO RESEARCH FOUNDATION

  公开号：WO2017025901A1

  公开（公告）日：2017-02-16

  The present invention relates to compounds of novel C28-analogues with C3- modifications of triterpene derivatives of formula (I); or pharmaceutically acceptable salts, pharmaceutically acceptable solvates, pharmaceutically acceptable hydrates, tautomers, stereoisomers, prodrugs, compositions or combination thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, X, and Z are as defined herein. The present invention also relates to pharmaceutical compositions comprising compounds of formula (I) useful for the treatment of viral diseases and particularly HIV mediated diseases.

  本发明涉及具有新型C28类似物和三萜衍生物的C3修饰的化合物的公式(I)；或药学上可接受的盐、药学上可接受的溶剂化合物、药学上可接受的水合物、互变异构体、立体异构体、前药、组合物或其组合物，其中R1、R2、R3、R4、R5、R6、R7、R8、X和Z如本文所定义。本发明还涉及包含公式(I)化合物的药物组合物，用于治疗病毒性疾病，特别是HIV介导的疾病。
• C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS
  申请人：HETERO RESEARCH FOUNDATION

  公开号：US20170008921A1

  公开（公告）日：2017-01-12

  The invention relates to C-3 novel triterpenone with C-28 reverse amide derivatives, related compounds, and pharmaceutical compositions useful for the therapeutic treatment of viral diseases and particularly HIV mediated diseases.
• Terpene Hydroperoxides. IV. The Thermal Decomposition of Pinane Hydroperoxide. I
  作者：Gustav A. Schmidt、Gordon S. Fisher

  DOI：10.1021/ja01650a049

  日期：1954.11