(5R)-1-[9-chloro-5-ethyl-5-hydroxy-10-methyl-3,15-dioxo-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4:6,7]indolizino[1,2-b]quinolin-12-yl-methyl]-4-methyl-hexahydropyridium chloride | 220997-99-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (5R)-1-[9-chloro-5-ethyl-5-hydroxy-10-methyl-3,15-dioxo-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4:6,7]indolizino[1,2-b]quinolin-12-yl-methyl]-4-methyl-hexahydropyridium chloride
• 英文别名: (+)-1-[(5R)-9-chloro-5-ethyl-5-hydroxy-10-methyl-3,15-dioxo-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4':6,7]indolizino[1,2-b]quinolin-12-ylmethyl]-4-methylhexahydropyridinium chloride；(20R)-6-chloro-20-ethyl-20-hydroxy-7-methyl-10-[(4-methylpiperidin-1-yl)methyl]-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione;hydron;chloride
• CAS: 220997-99-9
• 化学式: C₂₉H₃₂ClN₃O₄*ClH
• 分子量: 558.505
• InChiKey: OLYFGLXPXPABOP-XXIQNXCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.09
• 重原子数：
  38
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  83
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  9-chloro-5-ethyl-5-hydroxy-10-methyl-12-[(4-methyl-1-piperidinyl)methyl]-1,4,5,13-tetrahydro-3H,15H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 以85%的产率得到(5R)-1-[9-chloro-5-ethyl-5-hydroxy-10-methyl-3,15-dioxo-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4:6,7]indolizino[1,2-b]quinolin-12-yl-methyl]-4-methyl-hexahydropyridium chloride
  参考文献：
  名称：

  Comptothecin analogues, preparation methods therefor, use thereof as drugs, and pharmaceutical compositions containing said analogues

  摘要：

  该化合物的结构如下所示，其中取代基的定义如规范中所述，以及其无毒、药用可接受的盐，可用于治疗病毒感染、寄生虫病和癌症的治疗。

  公开号：

  US06339091B1

文献信息

• New analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them
  申请人：——

  公开号：US20030004150A1

  公开（公告）日：2003-01-02

  A compound of the formula 1 wherein the substituents are defined as in the specification which compounds are useful in the treatment of cancer.

  其中取代基如规范中所定义的化合物的化学式，这些化合物在癌症治疗中很有用。
• Product comprising mikanolide, dihydromikanolide or an analogue thereof combine with another anti-cancer agent for therapeutic use in cancer treatment
  申请人：——

  公开号：US20040138245A1

  公开（公告）日：2004-07-15

  The invention concerns a product comprising at least mikanolide, dihydromikanolide or an analogue thereof combined with at least another anti-cancer agent for simultaneous, separate or prolonged therapeutic use in cancer treatment. In a preferred embodiment of the invention, the mikanolide, dihydromikanolide or one analogue thereof is combined with enzymatic inhibitors such as G heterotrimeric protein inhibitors or alkylating agents such as cis-platinum.

  该发明涉及一种产品，其中至少包含米卡酮内酯、二氢米卡酮或其类似物，与至少另一种抗癌药物结合，用于癌症治疗的同时、分开或长期治疗。在该发明的一个优选实施例中，米卡酮内酯、二氢米卡酮或其类似物与酶抑制剂（如G异三聚蛋白抑制剂）或碱化剂（如顺铂）结合。
• US7135478B2
  申请人：——

  公开号：US7135478B2

  公开（公告）日：2006-11-14
• Comptothecin analogues, preparation methods therefor, use thereof as drugs, and pharmaceutical compositions containing said analogues
  申请人：Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S.)

  公开号：US06339091B1

  公开（公告）日：2002-01-15

  The compound of the formula wherein the substituents are defined as in the specification and its non-toxic, pharmaceutically acceptable salts which are useful for the treatment of viral infections, parasitic diseases and the treatment of cancer.

  该化合物的结构如下所示，其中取代基的定义如规范中所述，以及其无毒、药用可接受的盐，可用于治疗病毒感染、寄生虫病和癌症的治疗。