甲胺，N-(6-甲氧基-1-甲基-4(1H)-嘧啶亚基)-(9CI) | 58416-34-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 甲胺，N-(6-甲氧基-1-甲基-4(1H)-嘧啶亚基)-(9CI)
• 英文名称: 5-Formylamino-benzimidazol
• 英文别名: N-(1(3)H-benzoimidazol-5-yl)-formamide；N-(3H-benzimidazol-5-yl)formamide
• CAS: 58416-34-5
• 化学式: C₈H₇N₃O
• mdl: MFCD05861383
• 分子量: 161.163
• InChiKey: VQCLKQSPZGOEKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 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：
  57.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲胺，N-(6-甲氧基-1-甲基-4(1H)-嘧啶亚基)-(9CI) 、 氯 以96%的产率得到
  参考文献：
  名称：

  LEBENSTEDT E.; SCHUNACK W., ARCH. PHARM , 1975, 308, NO 12, 977-980

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4-二硝基苯胺 以95%的产率得到
  参考文献：
  名称：

  LEBENSTEDT E.; SCHUNACK W., ARCH. PHARM , 1975, 308, NO 12, 977-980

  摘要：

  DOI：

文献信息

• [EN] PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1<br/>[FR] PHARMACOPHORES, COMPOSÉS ET PROCÉDÉS AYANT UNE APPLICATION DANS LE TRAITEMENT DU CANCER PAR INHIBITION DE CYP17A1 ET CYP19A1
  申请人：MANGOSUTHU UNIV OF TECH

  公开号：WO2017070718A1

  公开（公告）日：2017-04-27

  The invention provides compounds for use as medicaments, which act by inhibiting CYP17A1 and CYP19A1 enzymes. The compounds have particular application in the treatment of cancer especially prostate cancer and breast cancer. The compounds have the formula: [Chem. 1] wherein: R is independently selected from the group consisting of optionally substituted arylamide; optionally substituted alkylarylamide; optionally substituted aryl carboxamide; optionally substituted cyanopiperidine; optionally substituted oxopiperidine; optionally substituted N-(pyridin-3-yl); optionally substituted pyridin-3-yl; optionally substituted pyrazole-4-carboxamide; optionally substituted pyrimidin-4-ylcarboxamide; optionally substituted pyrimidin-4-ylcarboxamide; optionally substituted 1H-pyrrol-2-ylcarboxamide; optionally substituted morpholin carboxamide; optionally substituted 1H-indazol-3-ylcarboxamide; optionally substituted 5-cyanopiperidin-3-ylcarboxamide; optionally substituted quinolin-7-yl; optionally substituted pyrazin-2-ylcarboxamide; optionally substituted 1H-1,3-benzodiazole-6-carboxamide; and optionally substituted 3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-ylcarboxamide; Each R1, R2, R3, R4, R5 is independently selected from the group consisting of H; OH; a halogen atom; OCH3; and NH2; and X is independently selected from the group consisting of O, H and OH. Some of the compounds are claimed per se and the invention also encompasses pharmaceutically acceptable salts, solvates, hydrates, primary metabolites and prodrugs thereof.
• LEBENSTEDT E.; SCHUNACK W., ARCH. PHARM <APBD-AJ>, 1975, 308, NO 12, 977-980
  作者：LEBENSTEDT E.、 SCHUNACK W.

  DOI：——

  日期：——