N-chloroacetyl-L-serine | 80174-65-8

• 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: N-chloroacetyl-L-serine
• 英文别名: N-Chloracetyl-L-serin；(2-chloroacetyl)-L-serine；(2S)-2-[(2-chloroacetyl)amino]-3-hydroxypropanoic acid
• CAS: 80174-65-8
• 化学式: C₅H₈ClNO₄
• 分子量: 181.576
• InChiKey: SGCJRDDJGFXEAB-VKHMYHEASA-N

物化性质

• 熔点：
  122-123 °C
• 沸点：
  493.7±45.0 °C(Predicted)
• 密度：
  1.501±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2924199090

反应信息

• 作为产物：
  描述：

  L-丝氨酸 、 氯乙酰氯 在 碳酸氢钠 作用下， 以 水 为溶剂， 反应 0.25h， 生成 N-chloroacetyl-L-serine
  参考文献：
  名称：

  One-pot synthesis of phenylseleno N-acetyl α-amino acids: Supra-molecular self-assembling in organoselenium compounds

  摘要：

  A convenient one-pot synthesis of phenylseleno N-acetyl a-amino acids, PhSeCH2C(O)NHC(R)COOH (R - H (1), Me (2), PhCH2 (3), 4-HOC6H4CH2 (4) and CH2OH (5)) is reported. These compounds have been characterized by microanalyses, UV-Vis, IR and NMR (H-1, C-13, Se-77) spectroscopy. The molecular structures of [PhSeCH2CONHCH2COOH] (1), [PhSeCH2CONHCH(CH2C6H4OH-4)COOH] (4) and [PhSeCH2CO NHCH(CH2OH)COOH] (5) have been established by X-ray diffraction analyses. These compounds are associated in the solid state through hydrogen bonding to give supra-molecular self-assembled structures. Free radical scavenging activity of these compounds has also been evaluated by DPPH assay. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.07.057

文献信息

• COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN
  申请人：Global Blood Therapeutics, Inc.

  公开号：US20170174654A1

  公开（公告）日：2017-06-22

  Provide herein are compounds and pharmaceutical compositions suitable as modulators of hemoglobin, methods and intermediates for their preparation, and methods for their use in treating disorders mediated by hemoglobin and disorders that would benefit from tissue and/or cellular oxygenation.

  本文提供的是适用于调节血红蛋白的化合物和药物组合物，它们的制备方法和中间体，以及在治疗由血红蛋白介导的疾病和需要组织和/或细胞氧合的疾病中使用它们的方法。
• Compounds Comprising a Cyclobutoxy Group
  申请人：Celanire Sylvain

  公开号：US20100305116A1

  公开（公告）日：2010-12-02

  The present invention relates to compounds comprising a cyclobutoxy group, processes for preparing them, phar-maceutical compositions comprising said compounds and their use as pharmaceuticals.

  本发明涉及具有环丁氧基的化合物、其制备方法、包含该化合物的药物组合物以及它们作为药物的用途。
• Compounds and uses thereof for the modulation of hemoglobin
  申请人：Global Blood Therapeutics, Inc.

  公开号：US10017491B2

  公开（公告）日：2018-07-10

  Provide herein are compounds and pharmaceutical compositions suitable as modulators of hemoglobin, methods and intermediates for their preparation, and methods for their use in treating disorders mediated by hemoglobin and disorders that would benefit from tissue and/or cellular oxygenation.

  本文提供了适合作为血红蛋白调节剂的化合物和药物组合物、制备它们的方法和中间体，以及将它们用于治疗由血红蛋白介导的疾病和可从组织和/或细胞氧合中获益的疾病的方法。
• Rao et al., Journal of Biological Chemistry, 1952, vol. 198, p. 507,508
  作者：Rao et al.

  DOI：——

  日期：——
• HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP
  申请人：UCB Pharma S.A.

  公开号：EP2146980A2

  公开（公告）日：2010-01-27