(R)-2-amino-3-hydroxy-N-(4-octylphenyl)propanamide | 1200143-82-3

• 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: (R)-2-amino-3-hydroxy-N-(4-octylphenyl)propanamide
• 英文别名: (2R)-2-amino-3-hydroxy-N-(4-octylphenyl)propanamide
• CAS: 1200143-82-3
• 化学式: C₁₇H₂₈N₂O₂
• 分子量: 292.422
• InChiKey: CQPCHNFFQJDZNB-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  75.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  [(R)-2-Hydroxy-1-(4-octyl-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (R)-2-amino-3-hydroxy-N-(4-octylphenyl)propanamide
  参考文献：
  名称：

  Discovery of novel sphingosine kinase 1 inhibitors

  摘要：

  Sphingosine kinase 1 (SK1) is an important enzyme that regulates the balance between ceramide and sphingosine-1-phosphate (S1P). Potent and novel SK1 inhibitors (6ag, 9ab and 12aa) have been discovered through a series of modi. cations of sphingosine ( 1), the substrate of this enzyme. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.022

文献信息

• INHIBITORS OF SPHINGOSINE KINASE 1
  申请人：Xiang Yibin

  公开号：US20110275673A1

  公开（公告）日：2011-11-10

  The invention relates to compounds of Formula (I). Compounds of the present invention are inhibitors of sphingosine kinase 3, and are useful in the treatment of various disorders and conditions, such as inflammatory disorders.

  本发明涉及公式（I）的化合物。本发明的化合物是鞘氨醇激酶3的抑制剂，并且在治疗各种疾病和病况，例如炎症性疾病方面非常有用。
• Discovery of novel sphingosine kinase 1 inhibitors
  作者：Yibin Xiang、Gary Asmussen、Michael Booker、Bradford Hirth、John L. Kane、Junkai Liao、Kevin D. Noson、Christopher Yee

  DOI：10.1016/j.bmcl.2009.09.022

  日期：2009.11

  Sphingosine kinase 1 (SK1) is an important enzyme that regulates the balance between ceramide and sphingosine-1-phosphate (S1P). Potent and novel SK1 inhibitors (6ag, 9ab and 12aa) have been discovered through a series of modi. cations of sphingosine ( 1), the substrate of this enzyme. (c) 2009 Elsevier Ltd. All rights reserved.