1,5-二甲基-1H-[1,2,4]噻唑-3-胺 | 34776-19-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1,5-二甲基-1H-[1,2,4]噻唑-3-胺
• 英文名称: 3-Amino-1,5-dimethyl-1H-1,2,4-triazol
• 英文别名: 1,5-Dimethyl-3-amino-1,2,4-triazol；3-Amino-1,5-dimethyl-1,2,4-triazin；3-Amino-1,5-dimethyl-1,2,4-triazol；3-amino-1,5-dimethyl-1H-1,2,4-triazole；1,5-dimethyl-1H-[1,2,4]triazol-3-ylamine；1,5-dimethyl-1H-1,2,4-triazol-3-amine；1,5-dimethyl-3-amino-1,2,4-triazole；3-amino-1,5-dimethyl-1,2,4-triazole；1,5-dimethyl-1,2,4-triazol-3-amine
• CAS: 34776-19-7
• 化学式: C₄H₈N₄
• mdl: MFCD08059916
• 分子量: 112.134
• InChiKey: IUOZPYYXZYMRIJ-UHFFFAOYSA-N

物化性质

• 熔点：
  187-189 °C(Solv: benzene (71-43-2))
• 沸点：
  300.7±25.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  56.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1,5-二甲基-1H-[1,2,4]噻唑-3-胺 、 1,2-cis-cyclohexanedicarboxylic anhydride 以 四氢呋喃 为溶剂， 生成 (1R,2S)-2-[(1,5-dimethyl-1,2,4-triazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
  参考文献：
  名称：

  Synthesis and SAR of a novel positive allosteric modulator (PAM) of the metabotropic glutamate receptor 4 (mGluR4)

  摘要：

  This Letter describes the synthesis and SAR of the novel positive allosteric modulator, VU0155041, a compound that has shown in vivo efficacy in rodent models of Parkinson's disease. The synthesis takes advantage of an iterative parallel synthesis approach to rapidly synthesize and evaluate a number of analogs of VU0155041. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.072
• 作为产物：
  描述：

  甲胺 、 3-azido-1,5-dimethyl-1,2,4-triazole 生成 1,5-二甲基-1H-[1,2,4]噻唑-3-胺
  参考文献：
  名称：

  XIMIYA GETEROTSIKL. SOEDIN., 1982, N 6, 848-849

  摘要：

  DOI：

文献信息

• HETEROCYCLIC GAMMA SECRETASE MODULATORS
  申请人：Baumann Karlheinz

  公开号：US20100120874A1

  公开（公告）日：2010-05-13

  The invention relates to methods for the treatment of Alzheimer's disease, cerebral amyloid angiopathy, hereditary cerebral hemorrhage with amyloidosis, Dutch-type (HCHWA-D), multi-infarct dementia, dementia pugilistica and Down syndrome which comprise administering a therapeutically effective amount of a compound of formula I wherein R 1 , R 2 , R 3 , V, W, Y, and Z are as defined herein or a pharmaceutically active acid addition salt of such compounds. The invention also relates to a subgenus of such compounds and pharmaceutical compositions containing them, as well as methods for their manufacture.

  该发明涉及治疗阿尔茨海默病、脑淀粉样血管病、遗传性淀粉样脑出血、荷兰型（HCHWA-D）、多梗塞性痴呆、拳击性痴呆和唐氏综合征的方法，包括给予化合物I的治疗有效量，其中R1、R2、R3、V、W、Y和Z如本文所定义，或者是这些化合物的药用活性酸盐。该发明还涉及这些化合物的亚属和含有它们的药物组合物，以及它们的制备方法。
• Notiz über die Reaktion von Methylhydrazin mit<i>N</i>-Cyano-azomethinen. Abhängigkeit des Reaktionsverlaufs von der Natur der Abgangsgruppe
  作者：Haukur Kristinsson、Tammo Winkler

  DOI：10.1002/hlca.19830660416

  日期：1983.6.15

  The reaction of methylhydrazine with N-cyanoazomethines 1 containing a thioalkyl leaving group yields the 3-amino-1,2,4-triazole derivatives 2, whereas the N-cyanoazomethines 1 containing an alkoxy leaving group give the isomeric 5-amino-1,2,4-triazoles 3. The yields are excellent and the position selectivity is high. The structures of the 1,2,4-triazole derivatives were determined with the aid of

  甲基肼与含有硫代烷基离去基团的N-氰基偶氮亚胺1的反应生成3-氨基-1,2,4-三唑衍生物2，而含有烷氧基离去基团的N-氰基偶氮亚胺1给出了异构体5-氨基-1， 2,4-三唑3.产率极高，位置选择性高。1,2,4-三唑衍生物的结构借助质子偶联的13 C-NMR确定。光谱。
• Heterocyclic gamma secretase modulators
  申请人：Hoffmann-La Roche Inc.

  公开号：US08288403B2

  公开（公告）日：2012-10-16

  The invention relates to methods for the treatment of Alzheimer's disease, cerebral amyloid angiopathy, hereditary cerebral hemorrhage with amyloidosis, Dutch-type (HCHWA-D), multi-infarct dementia, dementia pugilistica and Down syndrome which comprise administering a therapeutically effective amount of a compound of formula I wherein R1, R2, R3, V, W, Y, and Z are as defined herein or a pharmaceutically active acid addition salt of such compounds. The invention also relates to a subgenus of such compounds and pharmaceutical compositions containing them, as well as methods for their manufacture.

  本发明涉及用于治疗阿尔茨海默病、脑淀粉样血管病、遗传性淀粉样脑出血、荷兰型（HCHWA-D）、多发性梗塞性痴呆、拳击性痴呆和唐氏综合征的方法，其包括向患者施用公式I的化合物的治疗有效量，其中R1、R2、R3、V、W、Y和Z如本文所定义，或这些化合物的药物活性酸盐。本发明还涉及这些化合物的亚属和含有它们的药物组合物，以及它们的制造方法。
• IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：US20150065465A1

  公开（公告）日：2015-03-05

  The invention provides compounds of Formula (I) and pharmaceutically acceptable salts thereof. The Formula (I) imidazotriazines inhibit protein kinase activity thereby making them useful as anticancer agents.

  该发明提供了公式（I）的化合物及其药学上可接受的盐。 公式（I）的咪唑三嗪抑制蛋白激酶活性，因此可用作抗癌剂。
• Imidazotriazinecarbonitriles useful as kinase inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US08940736B2

  公开（公告）日：2015-01-27

  The invention provides compounds of Formula (I) and pharmaceutically acceptable salts thereof. The Formula (I) imidazotriazines inhibit protein kinase activity thereby making them useful as anticancer agents.

  本发明提供公式(I)的化合物及其药学上可接受的盐。公式(I)的咪唑三嗪类化合物抑制蛋白激酶活性，因此它们可用作抗癌剂。