(2R,2S)-2-[((2S,3S)-2-amino-4-methylpentanamido)]-3-(4-fluorophenyl)propanoic acid | 104544-19-6

• 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: (2R,2S)-2-[((2S,3S)-2-amino-4-methylpentanamido)]-3-(4-fluorophenyl)propanoic acid
• 英文别名: (2R,2S)-[2-((S)-2-amino-4-methylpentanamido)]-3-(4-fluorophenyl)propanoic acid；(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(4-fluorophenyl)propanoic acid
• CAS: 104544-19-6
• 化学式: C₁₅H₂₁FN₂O₃
• 分子量: 296.342
• InChiKey: YQSIYNQWEFRZBC-STQMWFEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  92.4
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Phenyl-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)methanamine;hydrochloride 、 (2R,2S)-2-[((2S,3S)-2-amino-4-methylpentanamido)]-3-(4-fluorophenyl)propanoic acid 在 N-甲基吗啉 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  含α-氨基硼的拟肽的合成及其抗菌活性。

  摘要：

  已合成了175个包含α-氨基硼酸或硼酸酯的二肽模拟物和三肽模拟物的文库，并筛选了其对结核分枝杆菌，白色念珠菌，金黄色葡萄球菌，化脓性链球菌，大肠杆菌和铜绿假单胞菌的活性。尽管没有明确的构效关系，但几种化合物对不同病原体表现出有希望的活性。版权所有©2013欧洲多肽协会和John Wiley＆Sons，Ltd.

  DOI：

  10.1002/psc.2583

文献信息

• Compounds For Enzyme Inhibition
  申请人：Smyth S. Mark

  公开号：US20080090785A1

  公开（公告）日：2008-04-17

  Peptide-based compounds including heteroatom-containing, three-membered rings efficiently and selectively inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases. The activities of those Ntn having multiple activities can be differentially inhibited by the compounds described. For example, the chymotrypsinlike activity of the 20S proteasome may be selectively inhibited with the inventive compounds. The peptide-based compounds include an epoxide or aziridine, and functionalization at the N-terminus. Among other therapeutic utilities, the peptide-based compounds are expected to display anti-inflammatory properties and inhibition of cell proliferation.
• [EN] COMPOUNDS FOR ENZYME INHIBITION<br/>[FR] COMPOSES D'INHIBITION ENZYMATIQUE
  申请人：PROTEOLIX INC

  公开号：WO2005111008A2

  公开（公告）日：2005-11-24

  Peptide-based compounds including heteroatom-containing, three-membered rings efficiently and selectively inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases. The activities of those Ntn having multiple activities can be differentially inhibited by the compounds described. For example, the chymotrypsinlike activity of the 20S proteasome may be selectively inhibited with the inventive compounds. The peptide-based compounds include an epoxide or aziridine, and functionalization at the N-terminus. Among other therapeutic utilities, the peptide-based compounds are expected to display anti-inflammatory properties and inhibition of cell proliferation.