18-(3-hydrazinocarbonyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydro-aspidospermidin-15-yl)-4-hydroxy-5,18-seco-ibogamine-18-carboxylic acid methyl ester | 55383-37-4

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 生物碱及其衍生物
• 英文名称: 18-(3-hydrazinocarbonyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydro-aspidospermidin-15-yl)-4-hydroxy-5,18-seco-ibogamine-18-carboxylic acid methyl ester
• 英文别名: 4-des-acetylvinblastine-23-hydrazide；4-Desacetyl-VLB C-3 carbohydrazid；methyl (13S,17S)-17-ethyl-13-[(10S,11R,12R)-12-ethyl-10-(hydrazinecarbonyl)-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
• CAS: 55383-37-4；74741-42-7
• 化学式: C₄₃H₅₆N₆O₇
• 分子量: 768.954
• InChiKey: PPRGGNQLPSVURC-GBJHUOKDSA-N

物化性质

• 溶解度：
  可溶于氯仿（少许）、DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  56
• 可旋转键数：
  7
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  177
• 氢给体数：
  6
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  18-(3-hydrazinocarbonyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydro-aspidospermidin-15-yl)-4-hydroxy-5,18-seco-ibogamine-18-carboxylic acid methyl ester 在 盐酸 、 亚硝酸异戊酯 作用下， 以 1,4-二氧六环 、 DMF (N,N-dimethyl-formamide) 、 三氟乙酸 为溶剂， 反应 1.0h， 生成 N-Acetyl-Ser-Ser-Ser-Chg-Gln-Ser-Val-PAM Resin
  参考文献：
  名称：

  CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER

  摘要：

  公开号：

  EP1009420B1
• 作为产物：
  描述：

  Cellblastin 生成 18-(3-hydrazinocarbonyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydro-aspidospermidin-15-yl)-4-hydroxy-5,18-seco-ibogamine-18-carboxylic acid methyl ester
  参考文献：
  名称：

  TROUET, A. B.;RAO, KANDUKURI, FIVAPRAFATA, BUFHANA;HANNART, J. A.

  摘要：

  DOI：

文献信息

• Method of treating cancer
  申请人：——

  公开号：US20030220241A1

  公开（公告）日：2003-11-27

  The present invention relates to methods of treating cancer using a combination of a compound which is a PSA conjugate and a compound which is a inhibitor of prenyl-protein transferase, which methods comprise administering to said mammal, either sequentially in any order or simultaneously, amounts of at least two therapeutic agents selected from a group consisting of a compound which is a PSA conjugate and a compound which is a inhibitor of prenyl-protein transferase. The invention also relates to methods of preparing such compositions.

  本发明涉及使用一种PSA共轭物和一种前脂蛋白转移酶抑制剂的组合治疗癌症的方法，该方法包括向所述哺乳动物施用来自以下组中选择的至少两种治疗剂的量，所述组包括一种PSA共轭物和一种前脂蛋白转移酶抑制剂，所述治疗剂可以顺序给药或同时给药。该发明还涉及制备这种组合物的方法。
• Conjugates useful in the treatment of prostate cancer
  申请人：——

  公开号：US20020103136A1

  公开（公告）日：2002-08-01

  Chemical conjugates which comprise oligopeptides, having amino acid sequences that are selectively proteolytically cleaved by free prostate specific antigen (PSA) and known cytotoxic agents are disclosed. The conjugates of the invention are characterized by a hydroxylalkylamino linker between the oligopeptide and vinblastine. Such conjugates are useful in the treatment of prostatic cancer and benign prostatic hypertrophy (BPH). Also disclosed are novel cytotoxic agents that are derivatives of vinca alkaloid drugs.

  本发明涉及化学结合物，其中包括寡肽，其氨基酸序列可被游离前列腺特异性抗原（PSA）选择性地蛋白酶裂解，并且已知包含细胞毒性药剂。本发明的结合物的特点是在寡肽和长春碱之间有一个羟基烷基氨基连接剂。这种结合物在前列腺癌和良性前列腺肥大（BPH）的治疗中很有用。此外，还披露了与长春碱生物碱药物衍生物相关的新型细胞毒性药剂。