[2-Azido-6-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl] propanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: [2-Azido-6-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl] propanoate
• 英文别名: [2-azido-6-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl] propanoate
• 化学式: C18H28N3O5P
• 分子量: 397.4
• InChiKey: RFYBPHXXYHVODK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• SH2 DOMAIN BINDING INHIBITORS
  申请人：THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：EP1383792A2

  公开（公告）日：2004-01-28
• [EN] SH2 DOMAIN BINDING INHIBITORS<br/>[FR] INHIBITEURS DE LIAISON AU DOMAINE SH2
  申请人：US GOV HEALTH & HUMAN SERV

  公开号：WO2002016407A2

  公开（公告）日：2002-02-28

  Disclosed are compounds for SH2 domain binding inhibition. For example, disclosed is a compound of formula (I) wherein R1 is a lipophile; R2, in combination with the phenyl ring, is a phenylphosphate mimic group or a protected phenylphosphate mimic group; R3 is hydrogen, azido, amino, carboxyalkyl, alkoxycarbonylalkyl, aminocarbonylalkyl, or alkylcarbonylamino, wherein the alkyl portion of R3 may be optionally substituted with a substituent selected from the group consisting of halo, hydroxy, carboxyl, amino, aminoalkyl, alkyl, alkoxy, and keto; R6 is a linker; AA is an amino acid; and n is 1 to 6; or a salt thereof. The compounds of the present invention have the advantage that their conformation is constrained to provide enhanced binding affinity with SH2 domain protein. Also disclosed are a pharmaceutical composition comprising a pharmaceutically or pharmacologically acceptable carrier and a compound of the present invention, a method for inhibiting an SH2 domain from binding with a phosphoprotein comprising contacting an SH2 domain with a compound of the present invention, a method of preventing or treating a disease, state, or condition by the use of one or more of these compounds, and a method for preparing the compounds of the present invention. The present invention further provides intermediates useful in the preparation of the compounds.