N1-(4-trifluoromethoxy)phenyl biguanide hydrochloride | 915071-42-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N1-(4-trifluoromethoxy)phenyl biguanide hydrochloride
• 英文别名: diaminomethylidene-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]azanium;chloride
• CAS: 915071-42-0
• 化学式: C₉H₁₀F₃N₅O*ClH
• 分子量: 297.667
• InChiKey: VAWGZGSCMHDUCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.23
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  112
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  癸醛 、 N1-(4-trifluoromethoxy)phenyl biguanide hydrochloride 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 16.0h， 生成 2,4-diamino-1,6-dihydro-6-nonyl-1-(4'-(trifluoromethoxy)phenyl)-1,3,5-triazine hydrochloride
  参考文献：
  名称：

  2,4-Diamino-1,3,5-triazine derivative

  摘要：

  公开号：

  EP1574503B1

文献信息

• Novel 2,4-diamino-1,3,5-triazine derivative
  申请人：Maeda Shirou

  公开号：US20060154928A1

  公开（公告）日：2006-07-13

  The present invention relates to an antibacterial agent, which comprises, as an active ingredient, a compound represented by the following general formula (1): or a pharmaceutically acceptable salt thereof.

  本发明涉及一种抗菌剂，其包含以下通式（1）所表示的化合物作为活性成分，或其药学上可接受的盐。
• 2,4-diamino-1,3,5-triazine derivatives
  申请人：Hamari Chemicals, Ltd.

  公开号：US07622469B2

  公开（公告）日：2009-11-24

  The present invention relates to an antibacterial agent, which comprises, as an active ingredient, a compound represented by the following general formula (1): or a pharmaceutically acceptable salt thereof.

  本发明涉及一种抗菌剂，其包括以下通式（1）所表示的化合物或其药学上可接受的盐作为活性成分：
• NOVEL 2,4-DIAMINO-1,3,5-TRIAZINE DERIVATIVE
  申请人：Hamari Chemicals Co., Ltd.

  公开号：EP1574503A1

  公开（公告）日：2005-09-14

  The present invention relates to an antibacterial agent, which comprises, as an active ingredient, a compound represented by the following general formula (1): or a pharmaceutically acceptable salt thereof.

  本发明涉及一种抗菌剂，其活性成分包括由以下通式（1）代表的化合物： 或其药学上可接受的盐。
• Biguanide compound and use thereof
  申请人：ImmunoMet Therapeutics Inc.

  公开号：US10626085B2

  公开（公告）日：2020-04-21

  The present invention relates to a guanidine compound and a use thereof, and more specifically, to a guanidine derivative showing excellent effects of inhibiting cancer cell proliferation, cancer metastasis, and cancer recurrence; a preparation method thereof; and a pharmaceutical composition containing the same as an active ingredient. Compared to existing drugs, the guanidine derivative according to the present invention shows excellent effects of inhibiting cancer cell proliferation, cancer metastasis, and cancer recurrence even with small doses, and may thus be effectively used in preventing or treating various cancers such as uterine cancer, breast cancer, stomach cancer, brain cancer, rectal cancer, colorectal cancer, lung cancer, skin cancer, blood cancer, liver cancer, etc., inhibiting cancer cell proliferation and cancer metastasis.

  本发明涉及一种胍类化合物及其用途，更具体地说，涉及一种在抑制癌细胞增殖、癌症转移和癌症复发方面具有卓越效果的胍类衍生物；其制备方法；以及一种以其为有效成分的药物组合物。与现有药物相比，根据本发明的胍类衍生物即使剂量很小，也能显示出极佳的抑制癌细胞增殖、癌转移和癌症复发的效果，因此可有效用于预防或治疗各种癌症，如子宫癌、乳腺癌、胃癌、脑癌、直肠癌、大肠癌、肺癌、皮肤癌、血癌、肝癌等，抑制癌细胞增殖和癌转移。
• BIGUANIDE COMPOUND AND USE THEREOF
  申请人：Immunomet Therapeutics Inc.

  公开号：EP3222614B1

  公开（公告）日：2020-07-29