benzoic acid indol-3-yl ester | 110178-60-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzoic acid indol-3-yl ester
• 英文别名: Benzoesaeure-indol-3-ylester；1H-indol-3-yl benzoate
• CAS: 110178-60-4
• 化学式: C₁₅H₁₁NO₂
• 分子量: 237.258
• InChiKey: FPOBGHNZNPQOFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  benzoic acid indol-3-yl ester 、 亚硝酸 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  DE131400

  摘要：

  公开号：
• 作为产物：
  描述：

  吲哚 生成 benzoic acid indol-3-yl ester
  参考文献：
  名称：

  Holt et al., Journal of the Chemical Society, 1958, p. 1217,1222

  摘要：

  DOI：

文献信息

• [EN] INDOLE-CONTAINING COMPOUNDS WITH ANTI-TUBULIN AND VASCULAR TARGETING ACTIVITY<br/>[FR] COMPOSES CONTENANT DE L'INDOLE A ACTIVITE ANTI-TUBULINE ET DE CIBLAGE VASCULAIRE
  申请人：UNIV BAYLOR

  公开号：WO2004099139A1

  公开（公告）日：2004-11-18

  Trimethoxyphenyl substituted indole ligands have been discovered which demonstrate impressive cytotoxicity as well as a remarkable ability to inhibit tubulin assembly. Such compounds as well as related derivatives are excellent clinical candidates for the treatment of cancer in humans. In addition, certain of these ligands, as pro-drugs, may well prove to be tumor selective vascular targeting chemotherapeutic agents or to have vascular targeting activity resulting in the selective prevention and/or destruction of nonmalignant proliferating vasculature.

  已发现了取代三甲氧基苯基吲哚配体，这些配体表现出令人印象深刻的细胞毒性，以及抑制微管组装的显著能力。这类化合物以及相关衍生物是治疗人类癌症的优秀临床候选药物。此外，这些配体中的某些作为前药，很可能被证明是肿瘤选择性血管靶向化疗药物，或具有靶向血管活性，从而选择性地预防和/或破坏非恶性增殖的血管系统。
• Indole-containing and combretastatin-related anti-mitotic and anti-tubulin polymerization agents
  申请人：Pinney G. Kevin

  公开号：US20050065217A1

  公开（公告）日：2005-03-24

  Trimethoxyphenyl substituted indole ligands have been discovered which demonstrate impressive cytotoxicity as well as a remarkable ability to inhibit tubulin polymerization. Such compounds as well as related derivatives are excellent clinical candidates for the treatment of cancer in humans. In addition, certain of these ligands, as pro-drugs, may well prove to be tumor selective vascular targeting and destruction chemotherapeutic agents or to have anti-angiogenesis activity resulting in the selective prevention and/or destruction of tumor cell vasculature.

  已经发现了替甲氧苯基取代的吲哚配体，它们展示出令人印象深刻的细胞毒性以及抑制微管聚合的显着能力。这些化合物以及相关衍生物是治疗人类癌症的优秀临床候选药物。此外，其中某些配体作为前药，可能被证明是肿瘤选择性靶向血管破坏化学治疗药物，或具有抗血管生成活性，从而选择性地预防和/或破坏肿瘤细胞血管。
• Indole-containing compounds with anti-tubulin and vascular targeting activity
  申请人：Pinney G. Kevin

  公开号：US20070082872A1

  公开（公告）日：2007-04-12

  Trimethoxyphenyl substituted indole ligands have been discovered which demonstrate impressive cytotoxicity as well as a remarkable ability to inhibit tubulin assembly. Such compounds as well as related derivatives are excellent clinical candidates for the treatment of cancer in humans. In addition, certain of these ligands, as pro-drugs, may well prove to be tumor selective vascular targeting chemotherapeutic agents or to have vascular targeting activity resulting in the selective prevention and/or destruction of nonmalignant proliferating vasculature.

  发现了取代三甲氧基苯基吲哚配体，它们表现出令人印象深刻的细胞毒性以及抑制微管蛋白组装的显著能力。这些化合物以及相关衍生物是治疗人类癌症的优秀临床候选药物。此外，这些配体中的某些作为前药可能证明是肿瘤选择性血管靶向化学治疗药物或具有血管靶向活性，从而选择性预防和/或破坏非恶性增殖血管。
• INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR
  申请人：Allison Brett D.

  公开号：US20110178062A1

  公开（公告）日：2011-07-21

  Certain substituted indole and benzothiophene compounds are histamine H 3 receptor modulators useful in the treatment of histamine H 3 receptor-mediated diseases.

  某些取代的吲哚和苯并噻吩化合物是组胺H3受体调节剂，可用于治疗组胺H3受体介导的疾病。
• Catalyst‐Free Regioselective C3−H Benzoxylation of 1<i>H</i>‐Indoles with Benzoyl Peroxide
  作者：Navyasree Pilli、Sudheer Kumar Karu、Chandrasekharam Malapaka

  DOI：10.1002/ejoc.202300640

  日期：2023.11.21

  An efficient catalyst-free C−O bond formation reaction for the synthesis of 1H-indol-3-yl benzoates was developed. The C(sp2)−H functionalization of 1H-indoles with benzoyl peroxide (BPO) in acetonitrile at room temperature under open flask conditions is step and reagent economic. Notably, indole-3-ylester derivatives represent important structures in various biologically active compounds, such as

  开发了一种有效的无催化剂 CO 键形成反应，用于合成 1 H-吲哚-3-基苯甲酸酯。在乙腈中，在室温下，在敞口烧瓶条件下，用过氧化苯甲酰 (BPO) 对1 H -吲哚进行C(sp 2 )−H 官能化是步骤和试剂经济的。值得注意的是，吲哚-3-基酯衍生物代表了各种生物活性化合物的重要结构，例如抗病毒药、磷酰基转移酶抑制剂、CDK抑制剂和伤口诊断试剂。