t-butyl 5-aminobenzo[b]thiophene-2-carboxylate | 639819-18-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: t-butyl 5-aminobenzo[b]thiophene-2-carboxylate
• 英文别名: Tert-butyl 5-aminobenzo[b]thiophene-2-carboxylate；tert-butyl 5-amino-1-benzothiophene-2-carboxylate
• CAS: 639819-18-4
• 化学式: C₁₃H₁₅NO₂S
• mdl: MFCD13184605
• 分子量: 249.334
• InChiKey: INZOWCGAMNBBNS-UHFFFAOYSA-N

物化性质

• 沸点：
  398.2±22.0 °C(Predicted)
• 密度：
  1.229±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.307
• 拓扑面积：
  80.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  t-butyl 5-aminobenzo[b]thiophene-2-carboxylate 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 生成 5-(2-Bromoprop-2-enoylamino)-1-benzothiophene-2-carboxylic acid
  参考文献：
  名称：

  Synthesis and growth inhibition activity of α-Bromoacrylic heterocyclic and benzoheterocyclic derivatives of distamycin A modified on the amidino moiety

  摘要：

  The design, synthesis and in vitro activities of novel alpha-bromoacryloyl pyrazole, imidazole and benzoheterocyclic derivatives of distamycin A, in which the amidino moiety has been replaced by moieties of different physico-chemical features are described, and the structure-activity relationships are discussed. In spite of the relevance of these modifications on the distamycin frame, these derivatives showed significant growth inhibitory activity against mouse leukemia L1210 cells. Therefore, the presence of the amidino moiety, and in general of a basic moiety, is not an absolute requirement for biological activity of alpha-bromoacrylic derivatives of distamycin. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00533-3
• 作为产物：
  描述：

  5-硝基-1-苯并噻吩-2-羧酸 在 palladium on activated charcoal N,N'-羰基二咪唑 作用下， 以 1,4-二氧六环 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、379.21 kPa 条件下， 反应 2.0h， 生成 t-butyl 5-aminobenzo[b]thiophene-2-carboxylate
  参考文献：
  名称：

  Synthesis and growth inhibition activity of α-Bromoacrylic heterocyclic and benzoheterocyclic derivatives of distamycin A modified on the amidino moiety

  摘要：

  The design, synthesis and in vitro activities of novel alpha-bromoacryloyl pyrazole, imidazole and benzoheterocyclic derivatives of distamycin A, in which the amidino moiety has been replaced by moieties of different physico-chemical features are described, and the structure-activity relationships are discussed. In spite of the relevance of these modifications on the distamycin frame, these derivatives showed significant growth inhibitory activity against mouse leukemia L1210 cells. Therefore, the presence of the amidino moiety, and in general of a basic moiety, is not an absolute requirement for biological activity of alpha-bromoacrylic derivatives of distamycin. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00533-3

文献信息

• [EN] OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE<br/>[FR] DÉRIVÉS D'OXAMIDE, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION EN MÉDECINE<br/>[ZH] 草酰胺类衍生物、其制备方法及其在医药上的应用
  申请人：SHENZHEN SALUBRIS PHARM CO LTD

  公开号：WO2021110076A1

  公开（公告）日：2021-06-10

  属于化学药物技术领域，涉及草酰胺类衍生物、其制备方法及其在医药上的应用。具体而言，提供式(I)的化合物或其立体异构体、互变异构体、药学上可接受的盐。这些化合物是选择性因子XIa(Factor XIa，简称FXIa)的抑制剂，还涉及包含这些化合物的药物组合物以及使用该化合物治疗血栓栓塞等疾病的药物中的用途。