(-)(2S:3R)-2-bromo-3-methyl-valeric acid | 21582-41-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (-)(2S:3R)-2-bromo-3-methyl-valeric acid
• 英文别名: (-)(2S:3R)-2-Brom-3-methyl-valeriansaeure；(S)-2-Brom-(R)-3-methyl-pentansaeure；(2S,3R)-2-Bromo-3-methylpentanoic acid
• CAS: 21582-41-2
• 化学式: C₆H₁₁BrO₂
• 分子量: 195.056
• InChiKey: GQZXYZIKUQUVKE-UHNVWZDZSA-N

物化性质

• 沸点：
  240.5±13.0 °C(Predicted)
• 密度：
  1.432±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (-)(2S:3R)-2-bromo-3-methyl-valeric acid 在 氯化亚砜 作用下， 生成 chloride of/the/ (-)(2S:3R)-2-bromo-3-methyl-valeric acid
  参考文献：
  名称：

  Abderhalden; Zeisset, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1931, vol. 200, p. 186

  摘要：

  DOI：
• 作为产物：
  描述：

  L-别异亮氨酸 在 nitrosyl bromide 作用下， 生成 (-)(2S:3R)-2-bromo-3-methyl-valeric acid
  参考文献：
  名称：

  Abderhalden; Zeisset, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1931, vol. 200, p. 186

  摘要：

  DOI：

文献信息

• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSES ORGANIQUES
  申请人：NOVARTIS AG

  公开号：WO2001077095A2

  公开（公告）日：2001-10-18

  Novel thiol derivatives of formula (I) wherein variables R1, R2, R3, R4, A, X, and Y have the meanings as defined hereinbefore; disulfide derivatives derived from said compounds wherein R1 is hydrogen; and pharmaceutically acceptable salts thereof; said compounds being useful as endothelin converting enzyme inhibitors.
• Abderhalden; Zeisset, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1931, vol. 200, p. 186
  作者：Abderhalden、Zeisset

  DOI：——

  日期：——
• Design and synthesis of potent thiol-based inhibitors of endothelin converting enzyme-1
  作者：Cynthia A Fink、Michael Moskal、Fariborz Firooznia、Denton Hoyer、David Symonsbergen、Dongchu Wei、Ying Qiao、Paula Savage、Michael E Beil、Angelo J Trapani、Arco Y Jeng

  DOI：10.1016/s0960-894x(00)00403-0

  日期：2000.9

  Through directed screening of compounds prepared as metalloprotease inhibitors a compound, CGS 30084, that had potent endothelin converting enzyme-1 (ECE-1) in vitro inhibitory activity (IC50 = 77 nM) was identified. Herein we report the synthesis and optimization of ECE-1 inhibitory activity of additional analogues from this lead. Compound 3c, the thioacetate methyl ester derivative of compound 4c, was found to be a long acting inhibitor of ECE-1 activity in rats after oral administration. (C) 2000 Elsevier Science Ltd. All rights reserved.