2-amino4-methylpentanoic acid (2,2-dimethyl-1-methylcarbamoylpropyl)amide

• 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: 2-amino4-methylpentanoic acid (2,2-dimethyl-1-methylcarbamoylpropyl)amide
• 英文别名: 2-amino-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-methylpentanamide
• 化学式: C₁₃H₂₇N₃O₂
• 分子量: 257.376
• InChiKey: SUFUXERBHBKUOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  84.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-amino4-methylpentanoic acid (2,2-dimethyl-1-methylcarbamoylpropyl)amide 、 1-羟基苯并三唑一水物 以 二氯甲烷 为溶剂， 以100%的产率得到Thioacetic Acid 1S-[1S-(2,2-Dimethyl-1S-methylcarbamoylpropylcarbamoyl)-3-methylbutylcarbamoyl]-3-(2,5-dioxopyrrolidin-1-yl)propyl Ester
  参考文献：
  名称：

  Selective MMP inhibitors having reduced side-effects

  摘要：

  本发明涉及一种针对基质金属蛋白酶（MMP）的抑制剂，其对MMP的IC50低于10^-4M，并且几乎不对非MMP金属蛋白酶相关事件产生活性。本发明的MMP抑制剂具有减少的副作用，尤其是关节疼痛方面。

  公开号：

  US20020035065A1

文献信息

• DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS
  申请人：Bristol-Myers Squibb Company

  公开号：EP1324975A2

  公开（公告）日：2003-07-09
• [EN] DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS<br/>[FR] RESOLUTION DYNAMIQUE D'ISOMERES ET ISOMERES RESOLUS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2002028809A2

  公开（公告）日：2002-04-11

  Provided is a dynamic resolution method of enriching a desired isomer of an alpha-substituted carboxylic acid relative to an undesired isomer, the method comprising: (a) in a solvent, contacting the alpha-substituted carboxylic acid, wherein the alpha substitution is with a leaving group and wherein the alpha carbon is chiral, with a homochiral amine to form a salt that is partially insoluble under selected reaction conditions, wherein the homochiral amine is selected so that the solubility of the amine salt of the undesired alpha-substituted carboxylic acid is greater than that of the amine salt of the desired alpha-substituted carboxylic acid under the selected reaction conditions; (b) reacting under the selected reaction conditions the salt with a nucleophile, wherein the reacting is effective in producing a net increase in the less soluble amine salt of the alpha-substituted carboxylic acid, and wherein the selected conditions are selected to (i) promote nucleophilic substitution of the nucleophile and the leaving group or (ii) to produce the increase in the less soluble amine salt in the absence of a strong base; and (c) maintaining the reaction for a period of time effective to increase the amount of the desired alpha-substituted carboxylic acid isomer.