N-Acetyl-L-tyrosyl-L-valyl-N-(1-carboxy-3-oxopropan-2-yl)-L-alaninamide | 184768-38-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: N-Acetyl-L-tyrosyl-L-valyl-N-(1-carboxy-3-oxopropan-2-yl)-L-alaninamide
• 英文别名: 3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
• CAS: 184768-38-5
• 化学式: C₂₃H₃₂N₄O₈
• 分子量: 492.5
• InChiKey: LPIARALSGDVZEP-CHZONSDFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  35
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  191
• 氢给体数：
  6
• 氢受体数：
  8

文献信息

• Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme
  申请人：MERCK & CO. INC.

  公开号：EP0519748A2

  公开（公告）日：1992-12-23

  Novel peptidyl derivatives of formula I are found to be potent inhibitors of interleukin-1β converting enzyme (ICE). Compounds of formula I may be useful in the treatment of inflammatory or immune-based diseases of the lung and airways ; central nervous system and surrounding membranes; the eyes and ears ; joints, bones, and connective tissues ; cardio-vascular system including the pericardium ; the gastrointestinal and urogenital systems ; the skin and mucosal membranes. Compounds of formula I are also useful in treating the complications of infection (e.g., gram negative shock) and tumors in which IL 1 functions as an autocrine growth factor or as a mediator of cachexia.

  发现式 I 的新型肽基衍生物是白细胞介素-1β 转换酶（ICE）的强效抑制剂。式 I 的化合物可用于治疗肺和呼吸道、中枢神经系统和周围膜、眼睛和耳朵、关节、骨骼和结缔组织、心血管系统（包括心包）、胃肠道和泌尿生殖系统、皮肤和粘膜的炎症性或免疫性疾病。式 I 的化合物还可用于治疗感染并发症（如革兰氏阴性休克）和 IL 1 作为自分泌生长因子或作为恶病质介质发挥作用的肿瘤。
• Novel chromophore containing compounds
  申请人：MERCK & CO. INC.

  公开号：EP0528487A2

  公开（公告）日：1993-02-24

  Disclosed are novel chromophore containing compounds of Formula I and their use in determining interleukin-1β convertase (ICE) activity. ICE has been implicated in inflammatory or immune-based diseases of the lung and airways; central nervous system and surrounding membranes; the eyes and ears; joints, bones, and connective tissues; cardiovascular system including the pericardium; the gastrointestinal and urogenital systems; the skin and mucosal membranes.

  本发明公开了含有式 I 的新型发色团化合物及其在测定白细胞介素-1β 转化酶（ICE）活性中的用途。白细胞介素-1β转换酶与以下部位的炎症性或免疫性疾病有关：肺和呼吸道；中枢神经系统和周围的膜；眼睛和耳朵；关节、骨骼和结缔组织；心血管系统，包括心包；胃肠道和泌尿生殖系统；皮肤和粘膜。
• Affinity chromatography matrix useful in purifying interleukin-1B converting enzyme
  申请人：MERCK & CO. INC.

  公开号：EP0529713A1

  公开（公告）日：1993-03-03

  Affinity chromatography matrices are disclosed which are useful in purifying interleukin-1β converting enzyme (ICE) from crude or partially purified cell lysate preparations. The chromatographic matrices comprise a specific ICE inhibitor of Formula I which is attached to an affinity column support by means of a bifunctional spacer.

  本发明公开了用于从粗制或部分纯化的细胞裂解物制剂中纯化白细胞介素-1β转换酶（ICE）的亲和层析基质。该色谱基质由式 I 的特异性 ICE 抑制剂组成，该抑制剂通过双功能间隔物连接到亲和柱支架上。
• US5278061A
  申请人：——

  公开号：US5278061A

  公开（公告）日：1994-01-11
• US5434248A
  申请人：——

  公开号：US5434248A

  公开（公告）日：1995-07-18