(1R,3S,7S,10R,11S,12S,16S)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (1R,3S,7S,10R,11S,12S,16S)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
• 化学式: C₂₆H₃₉NO₆S
• 分子量: 493.7
• InChiKey: HESCAJZNRMSMJG-AEFPWPFJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  138
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• AZIRIDINYL-EPOTHILONE COMPOUNDS
  申请人：Vite D. Gregory

  公开号：US20070276018A1

  公开（公告）日：2007-11-29

  The present invention is directed to aziridinyl epothilone compounds as further described herein, and/or pharmaceutically-acceptable salts and/or solvates thereof having the following Formula: wherein K is —O—, —S—, or —NR 7 —; A is —(CR 8 R 9 )—(CH 2 ) m -Z- wherein Z is —(CHR 10 )—, —C(═O)—, —C(═O)—C(═O)—, —OC(═O)—, —N(R 11 )C(═O)—, —SO 2 —, or —N(R 11 )SO 2 —; B 1 is hydroxyl or cyano and R 1 is hydrogen or B 1 and R 1 are taken together to form a double bond; R 2 , R 3 , and R 5 are, independently, hydrogen, alkyl, substituted alkyl, aryl or substituted aryl; or R 2 and R 3 may be taken together with the carbon to which they are attached to form an optionally substituted cycloalkyl; R 4 is hydrogen, alkyl, alkenyl, substituted alkyl, substituted alkenyl, aryl, or substituted aryl; R 6 is hydrogen, alkyl or substituted alkyl; R 7 , R 8 , R 9 , R 10 , R 11 and R 12 are independently hydrogen, alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, heterocycloalkyl, substituted heterocycloalkyl, heteroaryl, or substituted heteroaryl; and R 13 is aryl, substituted aryl, heteroaryl or substituted heteroaryl.

  本发明涉及如下所述的吲哚环毒毒素化合物，以及/或其在下式中具有以下结构的药学上可接受的盐和/或溶剂：其中K为—O—、—S—或—NR7—；A为—(CR8R9)—(CH2)m-Z-，其中Z为—(CHR10)—、—C(═O)—、—C(═O)—C(═O)—、—OC(═O)—、—N(R11)C(═O)—、—SO2—或—N(R11)SO2—；B1为羟基或氰基，R1为氢或B1和R1一起形成双键；R2、R3和R5独立地为氢、烷基、取代烷基、芳基或取代芳基；或R2和R3可以与它们连接的碳一起形成可选择取代的环烷基；R4为氢、烷基、烯烃基、取代烷基、取代烯烃基、芳基或取代芳基；R6为氢、烷基或取代烷基；R7、R8、R9、R10、R11和R12独立地为氢、烷基、取代烷基、环烷基、取代环烷基、芳基、取代芳基、杂环烷基、取代杂环烷基、杂芳基或取代杂芳基；而R13为芳基、取代芳基、杂芳基或取代杂芳基。
• Epothilone derivatives
  申请人：——

  公开号：US20030087888A1

  公开（公告）日：2003-05-08

  The present invention relates to 12,13-position modified epothilone derivatives, methods of preparation of the derivatives, and intermediates therefor.

  本发明涉及12,13位置改性的依波利烷衍生物，其制备方法及其中间体。
• 12,13-modified epothilone derivatives
  申请人：Bristol-Myers Squibb Company

  公开号：EP1589017A2

  公开（公告）日：2005-10-26

  The present invention relates to 12,13-position modified epothilone derivatives, methods of preparation of the derivatives and intermediates therefor.

  本发明涉及 12、13 位修饰的表蒽酮衍生物、衍生物的制备方法及其中间体。
• 12,13-MODIFIED EPOTHILONE DERIVATIVES
  申请人：Bristol-Myers Squibb Company

  公开号：EP1073648B1

  公开（公告）日：2006-09-20
• US6399638B1
  申请人：——

  公开号：US6399638B1

  公开（公告）日：2002-06-04