2-{2-[2-(1-t-butoxyzarbonylamino-2-triphenylmethylthioethyl)-5-methyl-1,3-oxazol-4-yl]-5-methyl-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylic acid | 437992-89-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 2-{2-[2-(1-t-butoxyzarbonylamino-2-triphenylmethylthioethyl)-5-methyl-1,3-oxazol-4-yl]-5-methyl-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylic acid
• 英文别名: 2-[5-Methyl-2-[5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tritylsulfanylethyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid
• CAS: 437992-89-7
• 化学式: C₃₈H₃₆N₄O₇S
• 分子量: 692.792
• InChiKey: PDUVEFMJKOGRHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  50
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  179
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  methyl 2-{2-[2-(1-amino-2,2-dimethoxyethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate 、 2-{2-[2-(1-t-butoxyzarbonylamino-2-triphenylmethylthioethyl)-5-methyl-1,3-oxazol-4-yl]-5-methyl-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 以94.6%的产率得到Methyl 2-[2-[2-[2,2-dimethoxy-1-[[2-[5-methyl-2-[5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tritylsulfanylethyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
  参考文献：
  名称：

  EP1350794

  摘要：

  公开号：

文献信息

• PROCESS FOR PREPARING SUBSTANCE GM-95
  申请人：TAIHO PHARMACEUTICAL CO., LTD.

  公开号：EP1350794A1

  公开（公告）日：2003-10-08

  A method of manufacturing substance GM-95 having general formula [I], comprising (a) deprotect ing a macrocyclic compound having general formula [II] (wherein, R1's are the same or different and each represents a lower alkyl group, and R2 represents a thiol protecting group) by removing acetal protecting groups (the R1's) thereof, and forming an oxazole ring through an intramolecular cyclization reaction between produced formyl group and an amide group, and (b) deprotecting a resulting macrocyclic compound having general formula [III] (wherein, R2 is as mentioned above) by removing the thiol protecting group (R2) thereof, and forming a thiazoline ring through an intramolecular cyclization reaction between a thiol group thus produced and an amide group.

  一种具有通式[I]的物质GM-95的制造方法，包括(a)通过去除其中的缩醛保护基团（R1's），对具有通式[II]的大环化合物（其中，R1's相同或不同，各代表一个低级烷基，R2代表一个硫醇保护基团）进行脱保护、(b) 通过去除其中的硫醇保护基团（R2），对得到的通式[III]（其中 R2 如上所述）的大环化合物进行脱保护，并通过由此产生的硫醇基团与酰胺基团之间的分子内环化反应形成噻唑环。
• Process for preparing substance GM-95
  申请人：——

  公开号：US20040049029A1

  公开（公告）日：2004-03-11

  A method of manufacturing substance GM-95 having general formula [I], comprising (a) deprotecting a macrocyclic compound having general formula [II] (wherein, R 1 's are the same or different and each represents a lower alkyl group, and R 2 represents a thiol protecting group) by removing acetal protecting groups (the R 1 's) thereof, and forming an oxazole ring through an intramolecular cyclization reaction between produced formyl group and an amide group, and (b) deprotecting a resulting macrocyclic compound having general formula [III] (wherein, R 2 is as mentioned above) by removing the thiol protecting group (R 2 ) thereof, and forming a thiazoline ring through an intramolecular cyclization reaction between a thiol group thus produced and an amide group.

  一种制造通式为[I]的物质 GM-95 的方法，包括 (a) 对通式为[II]的大环化合物进行脱保护（其中，R 1 相同或不同，且各自代表一个低级烷基，R 2 代表硫醇保护基），通过去除缩醛保护基（R 1 's），并通过产生的甲酰基和酰胺基之间的分子内环化反应形成噁唑环，以及 (b) 对得到的通式为 [III]的大环化合物进行脱保护处理（其中，R 2 如上所述），通过去除硫醇保护基（R 2 ），并通过由此产生的硫醇基团与酰胺基团之间的分子内环化反应形成噻唑啉环。
• US6818764B2
  申请人：——

  公开号：US6818764B2

  公开（公告）日：2004-11-16