氯胍相关物质C | 13590-98-2

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 氯胍相关物质C
• 英文名称: N1,N5-bis(4-chlorophenyl)biguanide hydrochloride
• 英文别名: 1,5-bis-(4-chloro-phenyl)-biguanide; hydrochloride；1,5-Bis-(4-chlor-phenyl)-biguanid; Hydrochlorid；1,5-Bis-(4-chlorophenyl)biguanide hydrochloride；1-[amino-(4-chloroanilino)methylidene]-2-(4-chlorophenyl)guanidine;hydrochloride
• CAS: 13590-98-2
• 化学式: C₁₄H₁₃Cl₂N₅*ClH
• 分子量: 358.658
• InChiKey: HEWJYBHXNHZDOY-UHFFFAOYSA-N

物化性质

• 熔点：
  250 °C
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  3.79
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.8
• 氢给体数：
  4
• 氢受体数：
  1

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  氯胍相关物质C 在 碳酸氢钠 、 溶剂黄146 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 21.0h， 生成 4,6-bis(4-chlorophenylamino)-N'-phenyl-1,3,5-triazine-2-carbohydrazide
  参考文献：
  名称：

  一些4,6-二氨基-1,3,5-三嗪-2-碳酰肼作为Rad6泛素结合酶抑制剂的合成及体外抗癌评价。

  摘要：

  4-氨基-6-（芳基氨基）-1,3,5-三嗪-2-碳酰肼（3a-e）和N'-苯基-4,6-双（芳基氨基）-1,3,5-三嗪系列为方便读者阅读，我们合成了-2-碳酰肼（6a-e），根据先前报道的Rad6B抑制性二氨基三嗪基甲基苯甲酸酯苯甲酸酯类抗癌剂TZ9和4-氨基合成了我们的化合物名称“新三嗪”。 -N′-苯基-6-（芳基氨基）-1,3,5-三嗪-2-碳酰肼。通过苯肼或肼与关键的4-氨基-6-双（芳基氨基）/（芳基氨基）-1,3,5-三嗪- 2-羧酸盐中间体。评估了这些新的三嗪衍生物抑制Rad6B泛素结合的能力以及针对几种人类癌细胞系的体外抗癌活性：卵巢癌（OV90和A2780），肺部（H1299和A549），乳腺（MCF-7和MDA-MB231） MTS分析检测结肠癌和结肠癌（HT29）细胞。与先前报道的选择性Rad6抑制剂TZ9相比，所有10种新的三嗪均表现出优异的Rad6B抑制活性。

  DOI：

  10.1016/j.bmcl.2016.02.085

文献信息

• Biguanide Derivative, A Preparation Method Thereof And A Pharmaceutical Composition Containing The Biguanide Derivative As An Active Ingredient
  申请人：Kim Sung Wuk

  公开号：US20120283299A1

  公开（公告）日：2012-11-08

  A biguanide derivative compound with N1-N5 substitution, which is represented by Formula 1, or a pharmaceutically acceptable salt thereof, a method of preparing the same, and a pharmaceutical composition containing the same as an active ingredient are provided. The biguanide derivative may exhibit excellent effect on activation of AMPKα and inhibition of cancer cell proliferation in a low dose, compared to conventional drugs, and thus, may be useful to treat diabetes mellitus, obesity, hyperlipidemia, hypercholesterolemia, fatty liver, coronary artery disease, osteoporosis, polycystic ovarian syndrome, metabolic syndrome, cancer, etc.

  提供一种具有N1-N5取代的biguanide衍生物化合物，其由Formula 1表示，或其药学上可接受的盐，以及制备该化合物的方法，以及含有该化合物作为活性成分的药物组合物。与传统药物相比，这种biguanide衍生物可能在低剂量下对AMPKα的激活和对癌细胞增殖的抑制表现出出色的效果，因此可能有助于治疗糖尿病、肥胖、高脂血症、高胆固醇血症、脂肪肝、冠心病、骨质疏松症、多囊卵巢综合征、代谢综合征、癌症等疾病。
• BIGUANIDE DERIVATIVE, A PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION CONTAINING THE BIGUANIDE DERIVATIVE AS AN ACTIVE INGREDIENT
  申请人：HanAll Biopharma Co., Ltd.

  公开号：EP2522653A2

  公开（公告）日：2012-11-14

  A biguanide derivative compound with N1-N5 substitution, which is represented by Formula 1, or a pharmaceutically acceptable salt thereof, a method of preparing the same, and a pharmaceutical composition containing the same as an active ingredient are provided. The biguanide derivative may exhibit excellent effect on activation of AMPKα and inhibition of cancer cell proliferation in a low dose, compared to conventional drugs, and thus, may be useful to treat diabetes mellitus, obesity, hyperlipidemia, hypercholesterolemia, fatty liver, coronary artery disease, osteoporosis, polycystic ovarian syndrome, metabolic syndrome, cancer, etc.

  本发明提供了一种由式 1 表示的具有 N1-N5 取代的双胍衍生物化合物或其药学上可接受的盐、其制备方法以及以其为活性成分的药物组合物。与传统药物相比，该双胍衍生物可在低剂量下表现出良好的激活 AMPKα 和抑制癌细胞增殖的效果，因此可用于治疗糖尿病、肥胖症、高脂血症、高胆固醇血症、脂肪肝、冠心病、骨质疏松症、多囊卵巢综合征、代谢综合征、癌症等。
• Biguanide derivative, a preparation method thereof, and a pharmaceutical composition containing the biguanide derivative as an active ingredient
  申请人：Immunomet Therapeutics Inc.

  公开号：US10376480B2

  公开（公告）日：2019-08-13

  A biguanide derivative compound with N1-N5 substitution, which is represented by Formula 1, or a pharmaceutically acceptable salt thereof, a method of preparing the same, and a pharmaceutical composition containing the same as an active ingredient are provided. The biguanide derivative may exhibit excellent effect on activation of AMPKα and inhibition of cancer cell proliferation in a low dose, compared to conventional drugs, and thus, may be useful to treat diabetes mellitus, obesity, hyperlipidemia, hypercholesterolemia, fatty liver, coronary artery disease, osteoporosis, polycystic ovarian syndrome, metabolic syndrome, cancer, etc.

  本发明提供了一种由式 1 表示的具有 N1-N5 取代的双胍衍生物化合物或其药学上可接受的盐、其制备方法以及以其为活性成分的药物组合物。与传统药物相比，该双胍衍生物可在低剂量下表现出良好的激活 AMPKα 和抑制癌细胞增殖的效果，因此可用于治疗糖尿病、肥胖症、高脂血症、高胆固醇血症、脂肪肝、冠心病、骨质疏松症、多囊卵巢综合征、代谢综合征、癌症等。
• Notes: The Preparation of Certain Amino-Substituted Perfluoroalkyl-s-triazines
  作者：John Shaw、Frank Gross

  DOI：10.1021/jo01093a619

  日期：1959.11
• Biguanide Derivative, A Preparation Method Thereof, And A Pharmaceutical Composition Containing The Biguanide Derivative As An Active Ingredient
  申请人：IMMUNOMET THERAPEUTICS INC.

  公开号：US20160317478A1

  公开（公告）日：2016-11-03

  A biguanide derivative compound with N1-N5 substitution, which is represented by Formula 1, or a pharmaceutically acceptable salt thereof a method of preparing the same, and a pharmaceutical composition containing the same as an active ingredient are provided. The biguanide derivative may exhibit excellent effect on activation of AMPKα and inhibition of cancer cell proliferation in a low dose, compared to conventional drugs, and thus, may be useful to treat diabetes mellitus, obesity, hyperlipidemia, hypercholesterolemia, fatty liver, coronary artery disease, osteoporosis, polycystic ovarian syndrome, metabolic syndrome, cancer, etc.