tert-butyl (S)-(3-((4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3’,4’:6,7]indolizino[1,2-b]quinolin-9-yl)oxy)propyl)carbamate | 187793-46-0

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 喜树碱
• 英文名称: tert-butyl (S)-(3-((4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3’,4’:6,7]indolizino[1,2-b]quinolin-9-yl)oxy)propyl)carbamate
• 英文别名: tert-butyl N-[3-[[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]propyl]carbamate
• CAS: 187793-46-0
• 化学式: C₃₀H₃₅N₃O₇
• 分子量: 549.624
• InChiKey: YUTYTHWZUWNQMM-PMERELPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  tert-butyl (S)-(3-((4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3’,4’:6,7]indolizino[1,2-b]quinolin-9-yl)oxy)propyl)carbamate 在 三氟乙酸 作用下， 生成 (S)-9-(3-aminopropoxy)-4,11-diethyl-4-hydroxy-1,12-dihydro-14H-pyrano[3’,4’:6,7]indolizino[1,2-b]quinoline-3,14(4H)-dione
  参考文献：
  名称：

  [EN] COMPOUND COMPRISING A MAO TARGETING/ SEEKER MOIETY FOR TREATING HUMAN GLIOMAS
  [FR] COMPOSÉ COMPRENANT UN FRAGMENT DE CIBLAGE/RECHERCHE DE MAO POUR LE TRAITEMENT DE GLIOMES HUMAINS

  摘要：

  本发明涉及用于靶向化学治疗药物到哺乳动物线粒体的化合物。还揭示了单胺氧化酶组成物，并使用它们进行哺乳动物癌症的选择性治疗，特别是在人类胶质瘤的治疗中。还揭示了使用新型靶向化疗药物与一种或多种传统抗癌疗法（例如放疗）的方法。

  公开号：

  WO2013151584A1
• 作为产物：
  描述：

  N-Boc-3-氨基丙基溴 、 7-乙基-10-羟基喜树碱 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 6.0h， 以33.1%的产率得到tert-butyl (S)-(3-((4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3’,4’:6,7]indolizino[1,2-b]quinolin-9-yl)oxy)propyl)carbamate
  参考文献：
  名称：

  [EN] CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF
  [FR] CONJUGUÉS PARTICULE VECTEUR-MÉDICAMENT LIEURS AUTO-IMMOLATEURS ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2022093800A3

文献信息

• [EN] COMPOUND COMPRISING A MAO TARGETING/ SEEKER MOIETY FOR TREATING HUMAN GLIOMAS<br/>[FR] COMPOSÉ COMPRENANT UN FRAGMENT DE CIBLAGE/RECHERCHE DE MAO POUR LE TRAITEMENT DE GLIOMES HUMAINS
  申请人：METHODIST HOSPITAL RES INST

  公开号：WO2013151584A1

  公开（公告）日：2013-10-10

  Disclosed are compound for targeting chemotherapeutic agents to mammalian mitochondria. Also disclosed are monoamine oxidase compositions, and methods of using them for the selective therapy of mammalian cancers, and in particular, in the treatment of human gliomas. Also disclosed are methods employing the novel targeted chemotherapeutics with one or more conventional anti-cancer therapies, including, for example, radiotherapy.

  本发明涉及用于靶向化学治疗药物到哺乳动物线粒体的化合物。还揭示了单胺氧化酶组成物，并使用它们进行哺乳动物癌症的选择性治疗，特别是在人类胶质瘤的治疗中。还揭示了使用新型靶向化疗药物与一种或多种传统抗癌疗法（例如放疗）的方法。
• S type 2-substituted hydroxy-2-indolidinylbutyric ester compounds and process for preparation thereof
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：US20030135049A1

  公开（公告）日：2003-07-17

  A process for preparing S type 2-substituted hydroxy-2-indolidinylbutyric ester compound [II]: 1 wherein R o is residue of nitrogen-containing fused heterocyclic carboxylic acid having absolute configuration of “R” (in which the nitrogen atom is protected), R1 and R2 are lower alkyl groups, and E is ester residue, which is useful as an intermediate for preparing camptothecin derivatives having antitumor activities, which comprises 2-ethylating 2-substituted hydroxy-2-indolidinylacetic ester compound [I]: 2 wherein the symbols are as defined above.

  一种制备S型2-取代羟基-2-吲哚丁酸酯化合物II的方法：其中Ro是氮杂环羧酸残基，具有“R”的绝对构型（其中氮原子受保护），R1和R2是较低的烷基基团，E是酯残基，该化合物是制备具有抗肿瘤活性的喜树碱衍生物的中间体，包括对2-取代羟基-2-吲哚丁酸乙酯化合物I进行2-乙基化，其中符号如上所定义。
• Stype 2-substituted hydroxy-2-indolidinylbutyric ester compounds and process for preparation thereof
  申请人：Tanabe Seiyaku Co., Ltd.

  公开号：US20020161231A1

  公开（公告）日：2002-10-31

  A process for preparing S type 2-substituted hydroxy-2-indolidinylbutyric ester compound [II]: 1 wherein R o is residue of nitrogen-containing fused heterocyclic carboxylic acid having absolute configuration of “R” (in which the nitrogen atom is protected), R1 and R2 are lower alkyl groups, and E is ester residue, which is useful as an intermediate for preparing camptothecin derivatives having antitumor activities, which comprises 2-ethylating 2-substituted hydroxy-2-indolidinylacetic ester compound [I]: 2 wherein the symbols are as defined above.

  一种制备S型2-取代羟基-2-吲哚丁酸酯化合物II的方法：其中Ro是氮杂环羧酸残基，具有“R”的绝对构型（其中氮原子受保护），R1和R2是低烷基基团，E是酯基残基，可用作制备具有抗肿瘤活性的喜树碱衍生物的中间体，该方法包括对2-取代羟基-2-吲哚乙酸酯化合物I进行2-乙基化，其中符号如上所定义。
• S type 2-substituted hydroxy-2-indolidinylbutyric ester compounds as intermediates for camptothecin derivatives
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP0845464A2

  公开（公告）日：1998-06-03

  A process for preparing S type 2-substituted hydroxy-2-indolidinyl-butyric ester compound [II]: wherein R° is residue of nitrogen-containing fused heterocyclic carboxylic acid having absolute configuration of "R"(in which the nitrogen atom is protected), R1 and R2 are lower alkyl group, and E is ester residue, which is useful as an intermediate for preparing camptothecin derivatives having antitumor activities,    comprises 2-ethylating 2-substituted hydroxy-2-indolidinylacetic ester compound [I]: wherein the symbols are as defined above.

  一种制备 S 型 2-取代羟基-2-吲哚烷基丁酸酯化合物的工艺[II]： 其中 R°为绝对构型为 "R"（其中氮原子被保护）的含氮融合杂环羧酸残基，R1 和 R2 为低级烷基，E 为酯残基，可用作制备具有抗肿瘤活性的喜树碱衍生物的中间体、 包括 2-乙基化 2-取代羟基-2-吲哚乙酸酯化合物[I]： 其中符号如上定义。
• S-type 2-substituted hydroxy-2-indolinylbutyric ester compounds and process for preparation thereof
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP1236728A2

  公开（公告）日：2002-09-04

  A process for preparing an S type 4-substituted hydroxypyrano-indolidine compound of the formula (VII): wherein R° is a residue of a nitrogen-containing fused heterocyclic carboxylic acid having an absolute configuration of "R" which is obtained by removing hydroxy group from the carboxyl group of said carboxylic acid (in which the nitrogen atom contained in the residue is protected), is described. The process involves reduction, alkanoylation, nitrosation, rearrangement and intramolecular cyclization reactions.

  一种制备式(VII)的 S 型 4-取代羟基吡喃-吲哚化合物的工艺： 其中 R°是绝对构型为 "R "的含氮融合杂环羧酸的残余物，该残余物是通过从所述羧酸的羧基上去除羟基而得到的（其中残余物中所含的氮原子受到保护）。 该过程包括还原、烷酰化、亚硝基化、重排和分子内环化反应。