N-(4-chloro-phenyl)-6-methyl-[1,3,5]triazine-2,4-diamine | 645-18-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: N-(4-chloro-phenyl)-6-methyl-[1,3,5]triazine-2,4-diamine
• 英文别名: N²-(4-chloro-phenyl)-6-methyl-[1,3,5]triazine-2,4-diyldiamine；N²-(4-Chlor-phenyl)-6-methyl-[1,3,5]triazin-2,4-diyldiamin；2-amino-4-(4-chlorophenylamino)-6-methyl-s-triazine；2-Amino-4-p-chloranilino-6-methyl-s-triazin；2-Amino-4-p-chlorphenyl-6-methyl-s-triazin；N~2~-(4-Chlorophenyl)-6-methyl-1,3,5-triazine-2,4-diamine；2-N-(4-chlorophenyl)-6-methyl-1,3,5-triazine-2,4-diamine
• CAS: 645-18-1
• 化学式: C₁₀H₁₀ClN₅
• 分子量: 235.676
• InChiKey: PLRXFKRJYXVJHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  473.7±47.0 °C(Predicted)
• 密度：
  1.422±0.06 g/cm3(Predicted)
• 熔点：
  195-196 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-[(4-chloro-anilino)-methyl-[1,3,5]triazin-2-yl]-acetamide 在 氢氧化钾 作用下， 生成 N-(4-chloro-phenyl)-6-methyl-[1,3,5]triazine-2,4-diamine
  参考文献：
  名称：

  39.合成抗疟药。第十三部分。一些N-二烷基氨基烷基am

  摘要：

  DOI：

  10.1039/jr9470000160

文献信息

• [EN] HETEROARYL COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS HÉTÉROARYLE ET LEUR UTILISATION
  申请人：MINORYX THERAPEUTICS S L

  公开号：WO2018122775A1

  公开（公告）日：2018-07-05

  The application is directed to compounds of formula (I): and their salts and solvates, wherein R1, R2, R3, A1, A2, A3, and n are as set forth in the specification, as well as to a method for their preparation, pharmaceutical compositions comprising the same, and use thereof for the treatment and/or prevention of a lysosomal storage disease, such as Gaucher's, and other diseases or disorders that are synucleinopathies.

  该申请涉及式(I)的化合物及其盐和溶剂合物，其中R1、R2、R3、A1、A2、A3和n如规范中所述，以及它们的制备方法，包含它们的药物组合物，以及用于治疗和/或预防溶酶体贮积病（如高雪氏病）和其他α-突触核蛋白病的用途。
• Synthesis and in vitro evaluation of 2,4-diamino-1,3,5-triazine derivatives as neuronal voltage-gated sodium channel blockers
  作者：Xiang Ma、Thong-Yuen Poon、Peter Tsun Hon Wong、Wai-Keung Chui

  DOI：10.1016/j.bmcl.2009.08.052

  日期：2009.10

  the best neuronal sodium binding activity among the four groups of triazines evaluated. Derivatives 4a–4j blocked the sodium channels with IC50 values ranged from 4.0 to 14.7 μM. The result from this study showed that analogues of 2,4-diamino-1,3,5-triazines could be used as leads for the discovery of neuronal sodium channels blockers for managing central nervous system related disorders.

  神经元钠通道阻滞剂会干扰离子通量，并已用于治疗神经性疼痛，癫痫和脑缺血性疾病。在目前的研究中，合成了四组2,4-二氨基-1,3,5-三嗪衍生物，并研究了它们的神经元钠通道结合活性。在四组三嗪中，发现5-Aryl-1,3,5-triazaspiro [5.5] undeca-1,3-diene-2,4-diamines（4a - 4j）具有最佳的神经元钠结合活性。衍生物4a – 4j用IC 50阻断了钠通道值范围为4.0至14.7μM。这项研究的结果表明，2,4-二氨基-1,3,5-三嗪的类似物可以用作发现神经元钠通道阻滞剂以治疗中枢神经系统相关疾病的先导。
• 71. Synthetic antimalarials. Part IV. 2-Phenylguanidino-4-aminoalkylamino-6-methylpyrimidines
  作者：F. H. S. Curd、F. L. Rose

  DOI：10.1039/jr9460000362

  日期：——
• Biguanide Compositions and Methods of Treating Metabolic Disorders
  申请人：Baron Alain D.

  公开号：US20150064223A1

  公开（公告）日：2015-03-05

  Provided herein are methods for treating certain conditions, including diabetes, obesity, and other metabolic diseases, disorders or conditions by administrating a composition comprising a biguanide or related heterocyclic compound, e.g., metformin. Also provided herein are biguanide or related heterocyclic compound compositions, and methods for the preparation thereof for use in the methods of the present invention. Also provided herein are compositions comprising metformin and salts thereof and methods of use.
• US4587337A
  申请人：——

  公开号：US4587337A

  公开（公告）日：1986-05-06