methyl 3-aminobenzenecarboximidate;hydrochloride | 133118-48-6

• 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: methyl 3-aminobenzenecarboximidate;hydrochloride
• CAS: 133118-48-6
• 化学式: C₈H₁₀N₂O*ClH
• 分子量: 186.641
• InChiKey: BAQQNSISUAHYBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.66
• 重原子数：
  12.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  59.1
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-acetoxy-4N-phthalimidobutan-2-one 、 methyl 3-aminobenzenecarboximidate;hydrochloride 生成 2-<2-(3-aminophenyl)-4-imidazolyl>ethanamine
  参考文献：
  名称：

  Histamine analogues. 33rd communication: 2-phenylhistamines with high histamine H1-agonistic activity

  摘要：

  DOI：

  10.1016/0223-5234(90)90132-m
• 作为产物：
  描述：

  甲醇 、 间氨基苯甲腈 在 盐酸 作用下， 生成 methyl 3-aminobenzenecarboximidate;hydrochloride
  参考文献：
  名称：

  Histamine analogues. 33rd communication: 2-phenylhistamines with high histamine H1-agonistic activity

  摘要：

  DOI：

  10.1016/0223-5234(90)90132-m

文献信息

• Bakscheew; Gawrilow, Zhurnal Obshchei Khimii, 1952, vol. 22, p. 2030,2034
  作者：Bakscheew、Gawrilow

  DOI：——

  日期：——
• Synthesis, DNA Interactions and Anticancer Evaluation of Novel Diamidine Derivatives of 3,4-Ethylenedioxythiophene
  作者：Ivana Stolić、Monika Avdičević、Nikola Bregović、Ivo Piantanida、Ljubica Glavaš-Obrovac、Miroslav Bajić

  DOI：10.5562/cca2141

  日期：——

  Eight novel diamidino 3,4-ethylenedioxythiophene-2,5-dicarboxanilides (5a-h), obtained by condensation reaction of 3,4-ethylenedioxythiophene-2,5-dicarbonyl chloride and corresponding 3- or 4-aminobenzamidines, were evaluated for interactions with double-stranded DNA and RNA, and their cytotoxicity was assayed against the panel of human cancer cell lines. All compounds preferentially bind into the minor groove of DNA and had higher affinity for DNA than for RNA. Compounds 5a-h showed a moderate antiproliferative effect toward the panel of seven carcinoma cells line, whereby the highest inhibitory potential was displayed by compound 5a with unsubstituted amidino moieties in para position. (doi: 10.5562/cca2141)
• ZINGEL, V.;ELZ, S.;SCHUNACK, W., EUR. J. MED. CHEM., 25,(1990) N, C. 673-680
  作者：ZINGEL, V.、ELZ, S.、SCHUNACK, W.

  DOI：——

  日期：——