benzyl N-phenylmethoxy-N-prop-2-enoylcarbamate | 1254691-20-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl N-phenylmethoxy-N-prop-2-enoylcarbamate
• CAS: 1254691-20-7
• 化学式: C₁₈H₁₇NO₄
• 分子量: 311.337
• InChiKey: VMCCABJMIXEZCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzyl N-phenylmethoxy-N-prop-2-enoylcarbamate 、 2,2,2-trichloroethyl ((3aS,4R,10aR)-4-(((tert-butyldiphenylsilyl)oxy)methyl)-6-((2,2,2-trichloroacetyl)imino)-3a,4,5,6-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-2(3H)-ylidene)sulfamate 在 四甲基胍 作用下， 以 二氯甲烷 为溶剂， 反应 1.52h， 以71%的产率得到2,2,2-trichloroethyl ((3aS,4R,10aR)-3-(3-((benzyloxy)((benzyloxy)carbonyl)amino)-3-oxopropyl)-4-(((tert-butyldiphenylsilyl)oxy)methyl)-6-((2,2,2-trichloroacetyl)imino)-3a,4,5,6-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-2(3H)-ylidene)sulfamate
  参考文献：
  名称：

  [EN] METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN
  [FR] PROCÉDÉS ET COMPOSITIONS POUR ÉTUDIER, VISUALISER PAR IMAGERIE ET TRAITER LA DOULEUR

  摘要：

  公开号：

  WO2010129864A9

文献信息

• SAXITOXIN DERIVATIVES, METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN
  申请人：The Board of Trustees of The Leland Stanford Junior University

  公开号：EP2459565B1

  公开（公告）日：2018-05-02
• Methods and compositions for studying, imaging, and treating pain
  申请人：Bois Justin Du

  公开号：US20100284913A1

  公开（公告）日：2010-11-11

  Saxitoxin analogue compounds, compositions, pharmaceutical compositions, methods of synthesis of saxitoxin analogues, methods of imaging, methods of treatment, including methods of treating pain, are provided. Saxitoxin (STX), gonyautoxin (GTX), and zetekitoxin, and variant STX compounds bind to sodium channels and are effective to reduce or block flow of sodium ions through such channels. Such channel block affects nerve and muscle action, and may be effective to reduce or block pain sensations, relax muscles, reduce muscle spasm, and reduce wrinkles. STX analogue binding to sodium channels may also be useful to locate, image, or mark sodium channels, and so be useful in studying sodium channels and sodium channel disorders, and in the diagnosis and treatment of patients suffering from sodium channel disorders. In embodiments, the variant STX compounds include conjugates having increased serum half-life as compared to STX when administered to a subject. In embodiments, the present disclosure provides a method for alleviating pain in a subject in need of treatment, the method comprising administering to the subject an effective amount of a saxitoxin analogue compound, or a pharmaceutically acceptable salt, isomer, tautomer or prodrug thereof, whereby pain in said subject is alleviated.
• METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN
  申请人：THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY

  公开号：US20160115173A1

  公开（公告）日：2016-04-28

  Saxitoxin analogue compounds, compositions, pharmaceutical compositions, methods of synthesis of saxitoxin analogues, methods of imaging, methods of treatment, including methods of treating pain, are provided. Saxitoxin (STX), gonyautoxin (GTX), and zetekitoxin, and variant STX compounds bind to sodium channels and are effective to reduce or block flow of sodium ions through such channels. Such channel block affects nerve and muscle action, and may be effective to reduce or block pain sensations, relax muscles, reduce muscle spasm, and reduce wrinkles. STX analogue binding to sodium channels may also be useful to locate, image, or mark sodium channels, and so be useful in studying sodium channels and sodium channel disorders, and in the diagnosis and treatment of patients suffering from sodium channel disorders. In embodiments, the variant STX compounds include conjugates having increased serum half-life as compared to STX when administered to a subject. In embodiments, the present disclosure provides a method for alleviating pain in a subject in need of treatment, the method comprising administering to the subject an effective amount of a saxitoxin analogue compound, or a pharmaceutically acceptable salt, isomer, tautomer or prodrug thereof, whereby pain in said subject is alleviated.
• US9174999B2
  申请人：——

  公开号：US9174999B2

  公开（公告）日：2015-11-03
• [EN] METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN<br/>[FR] PROCÉDÉS ET COMPOSITIONS POUR ÉTUDIER, VISUALISER PAR IMAGERIE ET TRAITER LA DOULEUR
  申请人：UNIV LELAND STANFORD JUNIOR

  公开号：WO2010129864A9

  公开（公告）日：2012-03-08