1-(7-溴-9H-吡啶并[3,4-b]吲哚-1-基)-3-甲基丁烷-1-胺 | 142755-07-5

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 中文名称: 1-(7-溴-9H-吡啶并[3,4-b]吲哚-1-基)-3-甲基丁烷-1-胺
• 中文别名: N-(3,5-二甲基-4-羰基环己-2,5-二烯-1-亚基)乙酰胺
• 英文名称: eudistalbin A
• 英文别名: 1-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-3-methylbutan-1-amine
• CAS: 142755-07-5
• 化学式: C₁₆H₁₈BrN₃
• 分子量: 332.243
• InChiKey: PWUUECLZOMPMHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲基-2-丙基[(2S)-4-甲基-1-氧代-2-戊烷基]氨基甲酸酯 在 三氟乙酸 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 1-(7-溴-9H-吡啶并[3,4-b]吲哚-1-基)-3-甲基丁烷-1-胺
  参考文献：
  名称：

  First total synthesis of eudistalbin A

  摘要：

  Eudistalbin A was isolated from marine tunicate eudistoma album and possess cytotoxic activity (ED(50) < 3.2 mu g/mL) in vitro against the growth of KB human buccal carinoma cells. The synthetic eudistalbin A showed potent inhibitory activity against the breast carcinoma cell line MDA-231 with an IC(50) value of 2.1 mu mol/L using the metabolic assay MTT. All structures of new compounds were confirmed by (1)H NMR, (13)C NMR, HRMS and optical rotation. (C) 2010 Tao Jiang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.03.017

文献信息

• [EN] ANTICANCER CONJUGATE<br/>[FR] CONJUGUÉ ANTICANCÉREUX
  申请人：ADAMED SP ZOO

  公开号：WO2014141094A1

  公开（公告）日：2014-09-18

  An anticancer conjugate, which comprises a fusion protein comprising domain (a), which is the functional fragment of a sequence of soluble human TRAIL (hTRAIL) protein beginning with an amino acid at a position not lower than hTRAIL95 or a sequence having at least 70% identity with said functional fragment, domain (b) which is the sequence of an effector peptide having proapoptotic, antiangiogenic, antiproliferative or pore forming activity, and conjugation domain (d) for attachment of a chemical compound selected from the group consisting of the sequences Cys Ala Ala Ala Cys Ala Ala Cys and Cys Ala Ala Cys Ala Ala Ala Cys, and a molecule of a chemical compound Z having antiblastic activity, which is attached to said conjugation domain (d) of said fusion protein directly or via a conjugation linker L.

  一种抗癌结合物，包括融合蛋白，该融合蛋白包括以下部分：（a）功能性片段，该片段是以不低于hTRAIL95位置的氨基酸开始的可溶性人类TRAIL（hTRAIL）蛋白序列的片段，或者具有与该功能性片段至少70%同源性的序列；（b）是具有促凋亡、抗血管生成、抗增殖或形成孔活性的效应肽序列；以及（d）用于连接来自以下序列的化学化合物的结合结构域，该序列包括Cys Ala Ala Ala Cys Ala Ala Cys和Cys Ala Ala Cys Ala Ala Ala Cys，以及具有抗肿瘤活性的化学化合物Z的分子，该分子附着在所述融合蛋白的结合结构域（d）上，直接或通过结合连接物L连接。
• First total synthesis of eudistalbin A
  作者：Pu Yong Zhang、Jun Lei Wang、Sheng Biao Wan、Tao Jiang

  DOI：10.1016/j.cclet.2010.03.017

  日期：2010.8

  Eudistalbin A was isolated from marine tunicate eudistoma album and possess cytotoxic activity (ED(50) < 3.2 mu g/mL) in vitro against the growth of KB human buccal carinoma cells. The synthetic eudistalbin A showed potent inhibitory activity against the breast carcinoma cell line MDA-231 with an IC(50) value of 2.1 mu mol/L using the metabolic assay MTT. All structures of new compounds were confirmed by (1)H NMR, (13)C NMR, HRMS and optical rotation. (C) 2010 Tao Jiang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

表征谱图