3-isopropylamino-butyric acid | 16217-38-2

• 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-isopropylamino-butyric acid
• 英文别名: 3-Isopropylamino-buttersaeure；Butanoic acid, 3-[(1-methylethyl)amino]-；3-(propan-2-ylamino)butanoic acid
• CAS: 16217-38-2
• 化学式: C₇H₁₅NO₂
• 分子量: 145.202
• InChiKey: MYCXVCIWQRXWFS-UHFFFAOYSA-N

物化性质

• 熔点：
  170 °C(Solv: water (7732-18-5); acetone (67-64-1))
• 沸点：
  237.4±23.0 °C(Predicted)
• 密度：
  0.979±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(异丙基氨基)丁酸乙酯 在 水 作用下， 生成 3-isopropylamino-butyric acid
  参考文献：
  名称：

  Pfau,M., Bulletin de la Societe Chimique de France, 1967, p. 1117 - 1125

  摘要：

  DOI：

文献信息

• Notes - Syntheses of DL-β-Aminobutyric Acid and its N-Alkyl Derivatives
  作者：Albert Zilkha、Joseph Rivlin

  DOI：10.1021/jo01095a604

  日期：1958.1.1
• PROCESS FOR POLYMERISATION OF ETHYLENE
  申请人：Saudi Basic Industries Corporation

  公开号：EP2625210A1

  公开（公告）日：2013-08-14
• PD-1/PD-L1 INHIBITORS
  申请人：Gilead Sciences, Inc.

  公开号：EP3612525B1

  公开（公告）日：2021-10-27
• COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS
  申请人：Uysal Teoman

  公开号：US20090131384A1

  公开（公告）日：2009-05-21

  The invention provides novel compounds, methods for treating or preventing a condition related to ER-stress, e.g. hypercholesterolemia, atherosclerosis and related conditions, and pharmaceutical compositions related thereto.
• PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION
  申请人：JUBILANT PRODEL LLC

  公开号：US20210179580A1

  公开（公告）日：2021-06-17

  The compounds of Formula Ib, Formula Ia, and Formula I are described herein along with their polymorphs, stereoisomers, tautomers, prodrugs, solvates, and pharmaceutically acceptable salts thereof. The process of preparation of the compounds of Formula Ib, Formula Ia, and Formula I is also described. The compounds described herein, their polymorphs, stereoisomers, tautomers, prodrugs, solvates, and pharmaceutically acceptable salts thereof are 2-(benzyloxy)pyrimidine derivatives that are inhibitors of PD-1/PD-L1 activation.