methyl 5-[[(2S)-2-[[(2R)-2-[[(3S)-3-hydroxy-7-tritylsulfanylhept-4-enoyl]amino]-3-phenylpropanoyl]amino]-3-tritylsulfanylpropanoyl]amino]pentanoate

• 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: methyl 5-[[(2S)-2-[[(2R)-2-[[(3S)-3-hydroxy-7-tritylsulfanylhept-4-enoyl]amino]-3-phenylpropanoyl]amino]-3-tritylsulfanylpropanoyl]amino]pentanoate
• 化学式: C₆₃H₆₅N₃O₆S₂
• 分子量: 1024.3
• InChiKey: AMJZCSQUOPIJHN-WRLKWCGOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  74
• 可旋转键数：
  28
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  184
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• [EN] DEPSIPEPTIDE DERIVATIVES AND THEIR THERAPEUTIC USE<br/>[FR] DÉRIVÉS DEPSIPEPTIDIQUES ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：KARUS THERAPEUTICS LTD

  公开号：WO2009022182A1

  公开（公告）日：2009-02-19

  A compound of structure VII, VIII, IX or X wherein: R1, R2, R3, R4, R5, R6, R7 and R9 are the same or different and each represents an amino-acid side-chain moiety; each R10 is the same or different and represents hydrogen or C1-C6 alkyl, C2- C6 alkenyl, C2-C6 alkynyl or 5- or 6-membered aryl or heteroaryl; Pr is hydrogen or an alcohol protecting group; X1 and X2 are the same or different and each represents a non -peptide moiety; and R8 is a metallophile capable of binding with zinc in the active site of HDAC; with the proviso that X1 is not the group -CHR1-CH(OPr-)-CHR9-, wherein R1, Pr and R9 are as defined above; and pharmaceutically acceptable salts thereof.