2-[(S)-1-[(Naphthalene-1-carbonyl)-amino]-2-(4-nitro-phenyl)-ethyl]-thiazole-4-carboxylic acid ethyl ester | 360569-81-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[(S)-1-[(Naphthalene-1-carbonyl)-amino]-2-(4-nitro-phenyl)-ethyl]-thiazole-4-carboxylic acid ethyl ester
• 英文别名: ethyl 2-[(1S)-1-(naphthalene-1-carbonylamino)-2-(4-nitrophenyl)ethyl]-1,3-thiazole-4-carboxylate
• CAS: 360569-81-9
• 化学式: C₂₅H₂₁N₃O₅S
• 分子量: 475.525
• InChiKey: NDASNSDAFLKKKH-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  142
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-[(S)-1-[(Naphthalene-1-carbonyl)-amino]-2-(4-nitro-phenyl)-ethyl]-thiazole-4-carboxylic acid ethyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 2-[(S)-1-[(Naphthalene-1-carbonyl)-amino]-2-(4-nitro-phenyl)-ethyl]-thiazole-4-carboxylic acid
  参考文献：
  名称：

  Discovery of potent and selective phenylalanine derived CCR3 receptor antagonists. Part 2

  摘要：

  Highly potent CCR3 antagonists have been developed from a previously reported series of phenylalanine ester-based leads. Solution-phase, parallel synthesis optimization was utilized to identify highly potent, functional CCR3 antagonists. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00249-9
• 作为产物：
  描述：

  1-(S)-carbamoyl-2-(4-nitrophenyl)ethylcarbamic acid tert-butyl ester 在 N-甲基吗啉 、 盐酸 、 tetraphosphorus decasulfide 、 sodium carbonate 、 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 四氢呋喃 、 1,4-二氧六环 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-[(S)-1-[(Naphthalene-1-carbonyl)-amino]-2-(4-nitro-phenyl)-ethyl]-thiazole-4-carboxylic acid ethyl ester
  参考文献：
  名称：

  Discovery of potent and selective phenylalanine derived CCR3 receptor antagonists. Part 2

  摘要：

  Highly potent CCR3 antagonists have been developed from a previously reported series of phenylalanine ester-based leads. Solution-phase, parallel synthesis optimization was utilized to identify highly potent, functional CCR3 antagonists. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00249-9

文献信息

• Discovery of potent and selective phenylalanine derived CCR3 receptor antagonists. Part 2
  作者：Dashyant Dhanak、Lisa T Christmann、Michael G Darcy、Richard M Keenan、Steven D Knight、Judithann Lee、Lance H Ridgers、Henry M Sarau、Dinubhai H Shah、John R White、Lily Zhang

  DOI：10.1016/s0960-894x(01)00249-9

  日期：2001.6

  Highly potent CCR3 antagonists have been developed from a previously reported series of phenylalanine ester-based leads. Solution-phase, parallel synthesis optimization was utilized to identify highly potent, functional CCR3 antagonists. (C) 2001 Elsevier Science Ltd. All rights reserved.