(4S,7R,8S,9S,13R,14R,16S)-13-azido-4,8,14-trihydroxy-5,5,7,9-tetramethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-oxacyclohexadecane-2,6-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: (4S,7R,8S,9S,13R,14R,16S)-13-azido-4,8,14-trihydroxy-5,5,7,9-tetramethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-oxacyclohexadecane-2,6-dione
• 化学式: C26H40N4O6S
• 分子量: 536.7
• InChiKey: FSUDOYJFIRRYPU-YKGHFLNASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  37
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  160
• 氢给体数：
  3
• 氢受体数：
  10

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。
• CONJUGATES OF AZIRIDINYL-EPOTHILONE ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME
  申请人：Vite D. Gregory

  公开号：US20070275904A1

  公开（公告）日：2007-11-29

  The present invention is directed to conjugated compounds comprising a folate, or an analog or derivative thereof, and an aziridinyl epothilone analog, as further described herein, and/or pharmaceutically-acceptable salts and/or solvates thereof, useful in the treatment of cancer or other folate-receptor associated conditions.

  本发明涉及包含叶酸、叶酸类似物或衍生物以及环氧紫杉烷类似物的共轭化合物，如下文进一步描述，并/或其药用可接受盐和/或溶剂，用于治疗癌症或其他叶酸受体相关疾病。
• PROCESSES FOR MAKING EPOTHILONE COMPOUNDS AND ANALOGS
  申请人：Parlanti Luca

  公开号：US20120178941A1

  公开（公告）日：2012-07-12

  A process for making aziridinyl epothilone compounds according to formula G, starting from a compound according formula C where R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 12 , R 13 , Z 1 and Z 2 in formulae (G) and (C) are as defined herein. The aziridinyl epothilone compounds of formula (G) are useful for the treatment of cancer.

  一种制备式G的环氧乙烯酮化合物的方法，从式C的化合物开始，其中在式（G）和（C）中定义如下：R1、R2、R3、R4、R5、R6、R12、R13、Z1和Z2。式（G）中的环氧乙烯酮化合物对于癌症的治疗是有用的。
• US7872145B2
  申请人：——

  公开号：US7872145B2

  公开（公告）日：2011-01-18
• US8143415B2
  申请人：——

  公开号：US8143415B2

  公开（公告）日：2012-03-27