(2S)-6-benzyloxy-2-tert-butyloxycarbonylaminohexanoic acid | 200405-50-1

• 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: (2S)-6-benzyloxy-2-tert-butyloxycarbonylaminohexanoic acid
• 英文别名: N-Boc-6-(phenylmethoxy)-L-norleucine；(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylmethoxyhexanoic acid
• CAS: 200405-50-1
• 化学式: C₁₈H₂₇NO₅
• 分子量: 337.416
• InChiKey: DBZKZRCKEODFMS-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2S)-6-benzyloxy-2-tert-butyloxycarbonylaminohexanoic acid 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢气 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 sodium iodide 作用下， 生成 (S)-(-)-tert-butyl-2-<(tert-butoxycarbonyl)amino>-6-iodohexanoate
  参考文献：
  名称：

  First total synthesis of the bone resorption markers deoxypyridinoline and hydroxypyridinoline

  摘要：

  The first total synthesis of the collagen crosslinks deoxypyridinoline 1 and hydroxypyridinoline 2 was achieved. The key intermediate, pyridine 3 served as starting material for the preparation of compounds 1 and 2 and derivatives of 1. These compounds create optimal tools to establish a diagnostic kit for bone resorption. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10084-1
• 作为产物：
  描述：

  (S)-2-Amino-6-benzyloxy-hexanoic acid ethyl ester 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 (2S)-6-benzyloxy-2-tert-butyloxycarbonylaminohexanoic acid
  参考文献：
  名称：

  First total synthesis of the bone resorption markers deoxypyridinoline and hydroxypyridinoline

  摘要：

  The first total synthesis of the collagen crosslinks deoxypyridinoline 1 and hydroxypyridinoline 2 was achieved. The key intermediate, pyridine 3 served as starting material for the preparation of compounds 1 and 2 and derivatives of 1. These compounds create optimal tools to establish a diagnostic kit for bone resorption. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10084-1

文献信息

• Inhibitors of nitric oxide biosynthesis
  申请人：MERRELL PHARMACEUTICALS INC.

  公开号：EP0446699A1

  公开（公告）日：1991-09-18

  The present invention is directed to a new class of compound which are useful as inhibitors of the biosynthesis of nitric oxide.

  本发明涉及一类可用作一氧化氮生物合成抑制剂的新型化合物。
• 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.
• US5318992A
  申请人：——

  公开号：US5318992A

  公开（公告）日：1994-06-07
• US5710324A
  申请人：——

  公开号：US5710324A

  公开（公告）日：1998-01-20
• First total synthesis of the bone resorption markers deoxypyridinoline and hydroxypyridinoline
  作者：Rudolf Waelchli、Ch Beerli、H Meigel、L Révész

  DOI：10.1016/s0960-894x(97)10084-1

  日期：1997.11

  The first total synthesis of the collagen crosslinks deoxypyridinoline 1 and hydroxypyridinoline 2 was achieved. The key intermediate, pyridine 3 served as starting material for the preparation of compounds 1 and 2 and derivatives of 1. These compounds create optimal tools to establish a diagnostic kit for bone resorption. (C) 1997 Elsevier Science Ltd.