(3,4-二氨基苯基)(2-噻吩基)甲酮 | 83846-78-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (3,4-二氨基苯基)(2-噻吩基)甲酮
• 英文名称: (3,4-diaminophenyl)(thiophen-2-yl)methanone
• 英文别名: (3,4-Diaminophenyl) (2-thienyl) ketone；(3,4-diaminophenyl)-thiophen-2-ylmethanone
• CAS: 83846-78-0
• 化学式: C₁₁H₁₀N₂OS
• 分子量: 218.279
• InChiKey: OVVRQDDFAJNUGP-UHFFFAOYSA-N

物化性质

• 沸点：
  461.7±40.0 °C(Predicted)
• 密度：
  1.350±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  97.4
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  (3,4-二氨基苯基)(2-噻吩基)甲酮 在 哌啶 、 溶剂黄146 、 potassium iodide 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 3-[5-(thiophene-2-carbonyl)-1H-benzoimidazol-2-yl]-oxazolidin-2-one
  参考文献：
  名称：

  Raeymackers; Van Gelder; Roevens, Arzneimittel-Forschung/Drug Research, 1978, vol. 28, # 4, p. 586 - 594

  摘要：

  DOI：
• 作为产物：
  描述：

  (3,4-dinitrophenyl)(thiophen-2-yl)methanone 在 盐酸 、 tin(II) chloride dihdyrate 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以99.7%的产率得到(3,4-二氨基苯基)(2-噻吩基)甲酮
  参考文献：
  名称：

  인돌 유도체 화합물, 이를 포함하는 Ａｂｌ 키나제 저해제 조성물 및 이상세포 성장 질환의 예방 및 치료용 약학 조성물

  摘要：

  本发明涉及苯并咪唑、苯并噻唑和咪唑吡啶衍生物化合物，其用化学式1表示，以及包含这些化合物的Abl激酶抑制剂组合物和用于预防和治疗异常细胞增长疾病的药学组合物。根据本发明，苯并咪唑、苯并噻唑或咪唑吡啶衍生物化合物及其药学上可接受的盐可作为针对Abl激酶的抑制剂，可用于治疗由异常细胞增长、功能或行为引起的疾病，特别是癌症、免疫性疾病、心血管疾病、病毒感染性疾病、炎症性疾病、内分泌疾病和神经性疾病。【化学式1】

  公开号：

  KR101546743B1

文献信息

• [EN] INHIBITORS OF HISTONE DEACETYLASE<br/>[FR] INHIBITEURS D'HISTONE DEACETYLASE
  申请人：METHYLGENE INC

  公开号：WO2005030704A1

  公开（公告）日：2005-04-07

  The invention relates to the inhibition of histone deacetylase. The invention provides compounds and methods for inhibiting histone deacetylase enzymatic activity. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  这项发明涉及抑制组蛋白去乙酰化酶。该发明提供了抑制组蛋白去乙酰化酶酶活性的化合物和方法。该发明还提供了治疗细胞增殖性疾病和症状的组合物和方法。
• 인돌 유도체 화합물, 이를 포함하는 Ａｂｌ 키나제 저해제 조성물 및 이상세포 성장 질환의 예방 및 치료용 약학 조성물
  申请人：Korea Advanced Institute of Science and Technology 한국과학기술원(319980988661) BRN ▼314-82-01980

  公开号：KR101546743B1

  公开（公告）日：2015-08-24

  본 발명은 하기 [화학식 1]로 표시되는 벤즈이미다졸, 벤조싸이아졸 및 이미다조 피리딘 유도체 화합물, 이를 포함하는 Abl 키나제 저해제 조성물 및 이상세포 성장 질환의 예방 및 치료용 약학 조성물에 관한 것으로서, 본 발명에 따른 벤즈이미다졸, 벤조싸이아졸 또는 이미다조피디린 유도체 화합물 및 이의 약학적 수용 가능한 염은 Abl 키나제에 대한 저해제로서 비정상적 세포 성장, 기능 또는 거동으로부터 야기되는 질환, 특히, 암, 면역 질환, 심혈관 질환, 바이러스 감염 질환, 염증성 질환, 내분비 질환 및 신경성 질환을 치료하는데 사용할 수 있다. [화학식 1]

  本发明涉及苯并咪唑、苯并噻唑和咪唑吡啶衍生物化合物，其用化学式1表示，以及包含这些化合物的Abl激酶抑制剂组合物和用于预防和治疗异常细胞增长疾病的药学组合物。根据本发明，苯并咪唑、苯并噻唑或咪唑吡啶衍生物化合物及其药学上可接受的盐可作为针对Abl激酶的抑制剂，可用于治疗由异常细胞增长、功能或行为引起的疾病，特别是癌症、免疫性疾病、心血管疾病、病毒感染性疾病、炎症性疾病、内分泌疾病和神经性疾病。【化学式1】
• Inhibitors of Histone Deacetylase
  申请人：Moradei Oscar

  公开号：US20080132459A1

  公开（公告）日：2008-06-05

  The invention relates to the inhibition of histone deacetylase. The invention provides compounds and methods for inhibiting histone deacetylase enzymatic activity. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  本发明涉及抑制组蛋白去乙酰化酶的方法。本发明提供了抑制组蛋白去乙酰化酶酶活性的化合物和方法。本发明还提供了用于治疗细胞增殖性疾病和病状的组合物和方法。
• Discovery of New Benzothiazole-Based Inhibitors of Breakpoint Cluster Region-Abelson Kinase Including the T315I Mutant
  作者：Seunghee Hong、Jinhee Kim、Sun-Mi Yun、Hyunseung Lee、Yoonsu Park、Soon-Sun Hong、Sungwoo Hong

  DOI：10.1021/jm301891t

  日期：2013.5.9

  The existence of drug resistance caused by mutations in the break-point cluster region-Abelson tyrosine kinase (Bcr-Abl) kinase domain remains a clinical challenge due to limited effective treatment options for chronic myeloid leukemia (CML). Herein we report a novel series of benzothiazole-based inhibitors that are effective against wild-type and T315I mutant Bcr-Abl kinases. The original hit compound, nocodazole, was extensively modified through a structure-based drug design strategy, especially by varying the groups at the C2 and C6 positions of the scaffold. In addition, the introduction of water-solubilizing groups at the terminal ethyl group resulted in enhanced physicochemical properties and potency in cellular inhibition. Several compounds inhibited the kinase activity of both wild-type Bcr-Abl and the T315I mutant with IC50 values in the picomolar range and exhibited good antiproliferative effects on Ba/F3 cell lines transformed with either wild-type or T315I mutant Bcr-Abl.
• KOLOSOVA, M. O.;DRUSVYATSKAYA, S. K.;SHVEDOVA, V. I.;LEBEDEVA, M. N.;KROT+
  作者：KOLOSOVA, M. O.、DRUSVYATSKAYA, S. K.、SHVEDOVA, V. I.、LEBEDEVA, M. N.、KROT+

  DOI：——

  日期：——