benzyl N-[4-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butyl]carbamate | 66647-12-9

• 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: benzyl N-[4-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butyl]carbamate
• CAS: 66647-12-9
• 化学式: C₂₃H₃₇N₃O₅
• 分子量: 435.564
• InChiKey: JFZRWJLGVZXMNN-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  31
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  106
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzyl N-[4-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butyl]carbamate 生成 benzyl N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]butyl]carbamate;formic acid
  参考文献：
  名称：

  EILON, GABRIEL F.;THOMPSON, WAYNE J.

  摘要：

  DOI：
• 作为产物：
  描述：

  氯甲酸苄酯 在 potassium acetate 、 溴甲酚绿 、 对甲苯磺酸 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙二醇二甲醚 、 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 9.0h， 生成 benzyl N-[4-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butyl]carbamate
  参考文献：
  名称：

  Stereoselective synthesis of E-64 and related cysteine proteases inhibitors from 2,3-epoxyamides

  摘要：

  The stereoselective synthesis of cathepsin inhibitors from indoline type epoxyamides is described. The use of this type of epoxyamides permitted the preparation of E-64 and CA-074 related compounds depending on the order in which the key steps, the oxidation of indoline amides to indole amides and oxidative acetal cleavage were undertaken. By taking advantage of the facile substitution of the indole of the corresponding indole epoxyamides, with various nucleophiles, we were able to prepare different epoxysuccinic acids derivatives as potential cathepsin inhibitors. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.12.018

文献信息

• N-(N-succinyl-l-leucyl) agmatine, related compounds and use in pharmacology
  申请人：Merck & Co., Inc.

  公开号：EP0367601A1

  公开（公告）日：1990-05-09

  Compounds having the formula: wherein R¹ is -NH(C=O)OR⁵, -NH(C=NH)NH₂ or -NH(C=N-NO₂)HN₂; R² is hydrogen, C₁₋₈alkyl or C₆₋₈aryl; n is 2 to 6; and R⁵ is hydrogen, C₁₋₈alkyl, C₆₋₈aryl, or C₇₋₈alkaryl; are disclosed in addition to methods to employ such compounds to induce migration of endothelial cells into denuded areas of vessel lining and to treat malignant hypercalcemia.

  具有以下式子的化合物 其中R¹是-NH(C＝O)OR⁵、-NH(C＝NH)NH₂或-NH(C＝N-NO₂)HN₂；R²是氢、C₁₋₈烷基或C₆₋₈烷基；n是2至6；R⁵是氢、C₁₋₈烷基、C₆₋₈烷基或C₇₋₈烷芳基；公开了使用这些化合物诱导内皮细胞迁移到血管内膜剥脱区域和治疗恶性高钙血症的方法。
• EILON, GABRIEL F.;THOMPSON, WAYNE J.
  作者：EILON, GABRIEL F.、THOMPSON, WAYNE J.

  DOI：——

  日期：——
• Stereoselective synthesis of E-64 and related cysteine proteases inhibitors from 2,3-epoxyamides
  作者：Francisco Sarabia、Antonio Sánchez-Ruiz、Samy Chammaa

  DOI：10.1016/j.bmc.2004.12.018

  日期：2005.3.1

  The stereoselective synthesis of cathepsin inhibitors from indoline type epoxyamides is described. The use of this type of epoxyamides permitted the preparation of E-64 and CA-074 related compounds depending on the order in which the key steps, the oxidation of indoline amides to indole amides and oxidative acetal cleavage were undertaken. By taking advantage of the facile substitution of the indole of the corresponding indole epoxyamides, with various nucleophiles, we were able to prepare different epoxysuccinic acids derivatives as potential cathepsin inhibitors. (C) 2004 Elsevier Ltd. All rights reserved.