N-{(S)-1-[5-(cis-3-Acetylamino-cyclobutyl)-2H-pyrazol-3-ylcarbamoyl]-ethyl}-isobutyramide | 865365-62-4

• 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: N-{(S)-1-[5-(cis-3-Acetylamino-cyclobutyl)-2H-pyrazol-3-ylcarbamoyl]-ethyl}-isobutyramide
• 英文别名: N-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
• CAS: 865365-62-4
• 化学式: C₁₆H₂₅N₅O₃
• 分子量: 335.406
• InChiKey: ZGZOUTAJXHULPL-GCVQQVDUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  4

文献信息

• Pyrazole derivatives
  申请人：Sanner A. Mark

  公开号：US20050209297A1

  公开（公告）日：2005-09-22

  The invention provides compounds of formula 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.

  本发明提供了式1的化合物，其中R1、R2、R3和R4如定义所述，以及其药物可接受的盐。式1的化合物被指示具有抑制cdk5、cdk2和GSK-3的活性。本发明还描述了包括式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的疾病和病况，如癌症和神经退行性疾病和病况以及受多巴胺神经递质影响的疾病和病况。还描述了包括式1的化合物的药物组合物和方法，用于治疗男性生育能力和精子运动能力；糖尿病；糖耐量受损；代谢综合征或综合征X；多囊卵巢综合征；脂肪生成和肥胖症；肌肉生成和衰弱，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、肢体固定或重要胸部、腹部和/或骨科手术相关的肌肉萎缩和/或消瘦；败血症；脱发、头发变薄和秃发；免疫缺陷症。