4-(thiophen-2-yl)benzene-1,2-diamine | 471239-63-1

• 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: 4-(thiophen-2-yl)benzene-1,2-diamine
• 英文别名: 4-thiophen-2-ylbenzene-1,2-diamine
• CAS: 471239-63-1
• 化学式: C₁₀H₁₀N₂S
• 分子量: 190.269
• InChiKey: XWTMGMKBRLLEFX-UHFFFAOYSA-N

物化性质

• 沸点：
  371.8±32.0 °C(Predicted)
• 密度：
  1.278±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(thiophen-2-yl)benzene-1,2-diamine 、 3-乙氧基-3-亚氨基丙酸乙酯盐酸盐 以 乙醇 为溶剂， 反应 12.0h， 生成 ethyl 2-[5-(thien-2-yl)benzimidazol-2-yl]acetate
  参考文献：
  名称：

  [EN] BENZIMIDAZOLE QUINOLINONES AND USES THEREOF
  [FR] QUINOLINONES DE BENZIMIDAZOLE ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2004018419A3
• 作为产物：
  描述：

  5-溴-2-硝基苯胺 在 盐酸 、 iron(III) chloride 、 四(三苯基膦)钯 、 sodium carbonate 、 一水合肼 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 12.0h， 生成 4-(thiophen-2-yl)benzene-1,2-diamine
  参考文献：
  名称：

  Synthesis and Antimicrobial Activity of Novel Substituted 4-[3-(1H-Benzimidazol-2-yl)-4-hydroxybenzyl]-2-(1H-benzimidazol-2-yl)phenol Derivatives

  摘要：

  A series of novel substituted bis-benzimidazole derivatives were synthesized by reaction of 5,5'-methylenebis(2-hydroxybenzaldehyde) with various substituted o-phenylenediamines in glacial acetic acid. The structure of the newly synthesized compounds was elucidated by H-1 and C-13 NMR, FT-IR, and MS spectra, and their antimicrobial activity against gram positive and gram negative bacteria and antifungal activity were evaluated. The thienyl-substituted derivative showed significant activity against Bacillus licheniformis, Bacillus subtilis, Staphylococcus aureus, Klebsiella pneumonia (bacteria), and Fusarium solani (fungi). The activities of the fluoro-substituted substituted derivative against some bacterial strains and of the thienyl-substituted derivative against fungi were found to be similar to those of standard drugs.

  DOI：

  10.1134/s1070363217120477

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。
• 4-Aminoquinazoline Derivatives and Uses Thereof
  申请人：SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY

  公开号：US20140235633A1

  公开（公告）日：2014-08-21

  The present invention provides a 4-aminoquinazoline derivative having the chemical structure of the following formula, and the use thereof. It is demonstrated by the pharmacological experiment that, the compound or a salt thereof according to the present invention not only has distinct inhibitory effect on histone deacetylases, but also has stronger differentiation induction and anti-proliferative activities for certain tumor cells. It can be used in the treatment of cancers and diseases related to cell differentiation and proliferation. Excellent efficacy is observed especially for leukemia and a solid tumor. As demonstrated by the animal test, the compound or a salt thereof according to the present invention is less toxic.

  本发明提供了一种具有以下化学结构的4-氨基喹唑啉衍生物，以及其用途。药理实验证明，根据本发明的化合物或其盐不仅对组蛋白去乙酰化酶具有明显的抑制作用，而且对某些肿瘤细胞具有更强的分化诱导和抗增殖活性。它可用于治疗与细胞分化和增殖相关的癌症和疾病。特别是对白血病和实体肿瘤观察到了出色的疗效。药物实验证明，根据本发明的化合物或其盐毒性较小。
• 吡咯并三嗪类化合物及其应用
  申请人：中国药科大学

  公开号：CN111018860B

  公开（公告）日：2022-06-10

  本发明属于医药化学领域，具体涉及一类内酰胺类组蛋白去乙酰化酶抑制剂、制备方法、含有该组蛋白去乙酰化酶抑制剂的药物组合，以及此类抑制剂在预防和/或治疗与组蛋白去乙酰化酶活性失控有关疾病的药物中的用途。
• Novel compounds with semiconducting properties
  申请人：Solvay SA

  公开号：EP2808327A1

  公开（公告）日：2014-12-03

  Novel compounds of formula (1) wherein X and X', independent of each other, represent O or S, Y and Y', independent of each other represent N or P, Y1 and Y1', independent of each other, represent -NH-, -O-, -S- or -PH- R1 and R1', independent of each other represent hydrogen, a C1-C30 hydrocarbyl or a C1-C30-heterohydrocarbyl group, R2, R3, R2' and R3', independent of each other represent a hydrogen, halogen, a C1-C20 hydrocarbyl or a C1-C20 heterohydrocarbyl group or R2 and R3 respectively R2' and R3' form together a substituted or unsubstituted five or six membered carbocyclic or heterocyclic, aromatic or heteroaromatic ring, which ring may be part of a fused ring system.

  式（1）中的新化合物，其中X和X'分别表示O或S，Y和Y'分别表示N或P，Y1和Y1'分别表示-NH-，-O-，-S-或-PH-，R1和R1'分别表示氢，C1-C30烃基或C1-C30杂原子烃基，R2、R3、R2'和R3'分别表示氢，卤素，C1-C20烃基或C1-C20杂原子烃基，或者R2和R3分别R2'和R3'共同形成一个取代或未取代的五元或六元碳环或杂环、芳香或杂芳环，该环可以是融合环系统的一部分。
• [EN] NOVEL COMPOUNDS WITH SEMICONDUCTING PROPERTIES<br/>[FR] NOUVEAUX COMPOSÉS AVEC DES PROPRIÉTÉS SEMICONDUCTRICES
  申请人：SOLVAY

  公开号：WO2014191358A1

  公开（公告）日：2014-12-04

  Novel compounds of formula (1) wherein X and X', independent of each other, represent O or S, Y and Y', independent of each other represent N or P, Y1and Y1', independent of each other, represent -NH-, -O-, -S- or -PH- R1and R1', independent of each other represent hydrogen, a C1-C30 hydrocarbyl or a C1-C30-heterohydrocarbyl group, R2, R3, R2' and R3', independent of each other represent a hydrogen, halogen, a C1-C20 hydrocarbyl or a C1-C20 heterohydrocarbyl group or R2 and R3 respectively R2' and R3' form together a substituted or unsubstituted five or six membered carbocyclic or heterocyclic, aromatic or heteroaromatic ring, which ring may be part of a fused ring system.

  式（1）的新化合物，其中X和X'分别表示O或S，Y和Y'分别表示N或P，Y1和Y1'分别表示-NH-、-O-、-S-或-PH-，R1和R1'分别表示氢、C1-C30烃基或C1-C30杂原烃基，R2、R3、R2'和R3'分别表示氢、卤素、C1-C20烃基或C1-C20杂原烃基，或R2和R3分别R2'和R3'共同形成一个取代或未取代的五元或六元碳环或杂环、芳香或杂芳环，该环可以是融合环系统的一部分。