1,1-diethyl-5-(3-chloro-phenyl)-biguanide

• 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: 1,1-diethyl-5-(3-chloro-phenyl)-biguanide
• 英文别名: 1,1-Diaethyl-5-(3-chlor-phenyl)-biguanid；2-[N'-(3-chlorophenyl)carbamimidoyl]-1,1-diethylguanidine
• 化学式: C₁₂H₁₈ClN₅
• 分子量: 267.761
• InChiKey: ZEPUZGCVTUVUNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  80
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,1-diethyl-5-(3-chloro-phenyl)-biguanide 在 氯 作用下， 生成 1,1-diethyl-5-(3,4-dichloro-phenyl)-biguanide; hydrochloride
  参考文献：
  名称：

  DE812667

  摘要：

  公开号：
• 作为产物：
  描述：

  N-(3-chlorophenyl)-N’-cyanoguanidine 、 二乙胺盐酸盐 在 乙二醇乙醚 作用下， 生成 1,1-diethyl-5-(3-chloro-phenyl)-biguanide
  参考文献：
  名称：

  DE832746

  摘要：

  公开号：

文献信息

• THERAPEUTIC COMPOUNDS AND METHODS
  申请人：Regents of the University of Minnesota

  公开号：US20150342909A1

  公开（公告）日：2015-12-03

  Biguanide compounds and salts thereof are disclosed. Also disclosed are pharmaceutical compositions and therapeutic methods for treating certain diseases including cancer such as breast cancer.

  抗酸化剂化合物及其盐已被披露。同时还披露了用于治疗某些疾病的药物组合物和治疗方法，包括乳腺癌等癌症。
• USE OF CYP EXPRESSION TO DIRECT THERAPEUTIC INTERVENTION IN CANCER
  申请人：REGENTS OF THE UNIVERSITY OF MINNESOTA

  公开号：US20180177749A1

  公开（公告）日：2018-06-28

  Certain embodiments of the invention provide a method for identifying a cancer cell that is sensitive to a biguanide compound or other CYP epoxygenase inhibitor, comprising detecting increased expression of at least one cytochrome P450 (CYP) and/or decreased expression of soluble epoxide hydrolase (EPHX2) in the cancer cell, wherein increased CYP expression and/or decreased expression of EPHX2 in the cancer cell correlates with increased sensitivity of the cancer cell to the biguanide compound or other CYP epoxygenase inhibitor.

  本发明的某些实施例提供了一种用于识别对双胍类化合物或其他CYP环氧化酶抑制剂敏感的癌细胞的方法，包括检测癌细胞中至少一个细胞色素P450（CYP）的表达增加和/或可溶性环氧化物水解酶（EPHX2）的表达减少，其中癌细胞中CYP表达增加和/或EPHX2表达减少与癌细胞对双胍类化合物或其他CYP环氧化酶抑制剂的敏感性增加相关。
• 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。
• Therapeutic compounds and methods
  申请人：Regents of the University of Minnesota

  公开号：US10272055B2

  公开（公告）日：2019-04-30

  Biguanide compounds and salts thereof are disclosed. Also disclosed are pharmaceutical compositions and therapeutic methods for treating certain diseases including cancer such as breast cancer.

  本发明公开了双胍化合物及其盐类。还公开了用于治疗包括癌症（如乳腺癌）在内的某些疾病的药物组合物和治疗方法。