2-cyano-3-cyclobutyl-3-oxo-propionic acid ethyl ester | 403595-50-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 2-cyano-3-cyclobutyl-3-oxo-propionic acid ethyl ester
• 英文别名: 2-Cyan-3-cyclobutyl-3-oxo-propionsaeure-aethylester；Cyclobutylformyl-cyanessigsaeureaethylester；Ethyl 2-cyano-3-cyclobutyl-3-oxopropanoate
• CAS: 403595-50-6
• 化学式: C₁₀H₁₃NO₃
• 分子量: 195.218
• InChiKey: XPVJMAQDMRKEBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  67.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-cyano-3-cyclobutyl-3-oxo-propionic acid ethyl ester 在 氢氧化钾 作用下， 生成 丙二酸
  参考文献：
  名称：

  Campbell; Thorpe, Journal of the Chemical Society, 1910, vol. 97, p. 2424

  摘要：

  DOI：
• 作为产物：
  描述：

  3-amino-2-cyano-3-cyclobutyl-acrylic acid ethyl ester 在 氢氧化钾 作用下， 生成 2-cyano-3-cyclobutyl-3-oxo-propionic acid ethyl ester
  参考文献：
  名称：

  Campbell; Thorpe, Journal of the Chemical Society, 1910, vol. 97, p. 2424

  摘要：

  DOI：

文献信息

• Pyrazole derivatives
  申请人：——

  公开号：US20020103185A1

  公开（公告）日：2002-08-01

  The invention provides compounds of formula 1 1 wherein R 1 , R 2 , R 3 , and R 4 are as defined, and their pharmaceutically acceptable salts. Compounds of formula 1 are indicated to have activity inhibiting cdk5, cdk2, and GSK-3. Pharmaceutical compositions and methods comprising compounds of formula 1 for treating and preventing diseases and conditions comprising abnormal cell growth, such as cancer, and neurodegenerative diseases and conditions and those affected by dopamine neurotransmission. Also described are pharmaceutical compositions and methods comprising compounds of formula 1 for treating male fertility and sperm motility; diabetes mellitus; impaired glucose tolerance; metabolic syndrome or syndrome X; polycystic ovary syndrome; adipogenesis and obesity; myogenesis and frailty, for example age-related decline in physical performance; acute sarcopenia, for example muscle atrophy and/or cachexia associated with burns, bed rest, limb immobilization, or major thoracic, abdominal, and/or orthopedic surgery; sepsis; hair loss, hair thinning, and balding; and immunodeficiency.

  该发明提供了公式11中的化合物，其中R1、R2、R3和R4如定义，并且它们的药用盐。公式1的化合物被指出具有抑制cdk5、cdk2和GSK-3活性的作用。包括公式1的化合物的药物组合物和方法，用于治疗和预防包括异常细胞生长在内的疾病和病症，如癌症，神经退行性疾病以及受多巴胺神经传递影响的疾病和病症。还描述了包括公式1的化合物的药物组合物和方法，用于治疗男性生育力和精子活动力；糖尿病；糖耐量受损；代谢综合征或X综合征；多囊卵巢综合征；脂肪生成和肥胖；肌肉生成和虚弱，例如与年龄相关的身体表现下降；急性肌肉萎缩，例如与烧伤、卧床休息、肢体固定或主要胸部、腹部和/或骨科手术相关的肌肉萎缩和/或虚弱；败血症；脱发、头发变薄和秃头；以及免疫功能缺陷。
• PYRAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS
  申请人：Pfizer Products Inc.

  公开号：EP1313710A1

  公开（公告）日：2003-05-28
• [EN] PYRAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS<br/>[FR] DERIVES PYRAZOLE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DES PROTEINES KINASES
  申请人：PFIZER PROD INC

  公开号：WO2002018346A1

  公开（公告）日：2002-03-07

  The invention provides compounds of formula (1) wherein R?1, R2, R3, and R4¿ are as defined, and their pharmaceutically acceptable salts. Compounds of formula (1) are indicated to have activity inhibiting cdk2, and GSK-3. Pharmaceutical compositions and methods comprising compounds of formula (1) for treating and preventing diseases and conditions comprising abnormal cell growth, such as cancer, and neurodegenerative diseases and conditions and those affected by dopamine neurotransmission. Also described are pharmaceutical compositions and methods comprising compounds of formula (1) for treating male fertility and sperm motility; diabetes mellitus; impaired glucose tolerance; metabolic syndrome or syndrome X; polycystic ovary syndrome; adipogenesis and obesity; myogenesis and frailty, for example age-related decline in physical performance; acute sarcopenia, for example muscle atrophy and/or cachexia associated with burns, bed rest, limb immobilization, or major thoracic, abdominal, and/or orthopedic surgery; sepsis; hair loss, hair thinning, and balding; and immunodeficiency.
• Campbell; Thorpe, Journal of the Chemical Society, 1910, vol. 97, p. 2424
  作者：Campbell、Thorpe

  DOI：——

  日期：——