N,2-二甲基-(1,3-噻唑-4-基)甲胺 | 144163-81-5

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: N,2-二甲基-(1,3-噻唑-4-基)甲胺
• 中文别名: 2-甲基-4-[甲基(氨基甲基)]-1,3-噻唑
• 英文名称: N-methyl-1-(2-methylthiazol-4-yl)methanamine
• 英文别名: N-methyl(2-methyl-1,3-thiazol-4-yl)methanamine；Methyl-(2-methyl-thiazol-4-ylmethyl)-amine；N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
• CAS: 144163-81-5
• 化学式: C₆H₁₀N₂S
• mdl: MFCD06738964
• 分子量: 142.225
• InChiKey: GJHOBSIOQKGKSG-UHFFFAOYSA-N

物化性质

• 沸点：
  207.1±15.0 °C(Predicted)
• 密度：
  1.093±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  C
• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  N,2-二甲基-(1,3-噻唑-4-基)甲胺 在 4-二甲氨基吡啶 、 lithium hydroxide 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 生成 N-<amino>carbonyl>valine
  参考文献：
  名称：

  Discovery of Ritonavir, a Potent Inhibitor of HIV Protease with High Oral Bioavailability and Clinical Efficacy

  摘要：

  The structure-activity studies leading to the potent and clinically efficacious HIV protease inhibitor ritonavir are described. Beginning with the moderately potent and orally bioavailable inhibitor A-80987, systematic investigation of peripheral (P3 and P2') heterocyclic groups designed to decrease the rate of hepatic metabolism provided analogues with improved pharmacokinetic properties after oral dosing in rats. Replacement of pyridyl groups with thiazoles provided increased chemical stability toward oxidation while maintaining sufficient aqueous solubility for oral absorption, Optimization of hydrophobic interactions with the HIV protease active site produced ritonavir, with excellent in vitro potency (EC50 = 0.02 mu M) and high and sustained plasma concentrations after oral administration in four species. Details of the discovery and preclinical development of ritonavir are described.

  DOI：

  10.1021/jm970636+
• 作为产物：
  描述：

  4-(氯甲基)-2-甲基-1,3-噻唑 、 甲胺 在 silica gel 、 甲醇 、 氯仿 作用下， 反应 16.5h， 以to give the title compound (1.23 g, 64% yield)的产率得到N,2-二甲基-(1,3-噻唑-4-基)甲胺
  参考文献：
  名称：

  HIV protease inhibiting compounds

  摘要：

  公开了一种化合物，其化学式为，作为HIV蛋白酶抑制剂。还公开了抑制HIV感染的方法和组合物。

  公开号：

  US20050131017A1

文献信息

• [EN] OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS OXADIAZOLE QUI INHIBENT L'ACTIVITÉ DE LA BÊTA-SECRÉTASE, ET LEURS PROCÉDÉS D'UTILISATION
  申请人：COMENTIS INC

  公开号：WO2012054510A1

  公开（公告）日：2012-04-26

  The invention provides novel beta-secretase inhibitors and methods for their including methods of treating Alzheimer's disease.

  这项发明提供了新型β-分泌酶抑制剂以及它们的方法，包括治疗阿尔茨海默病的方法。
• New compounds, pharmaceutical compositions and uses thereof
  申请人：ROTH Gerald Juergen

  公开号：US20120214782A1

  公开（公告）日：2012-08-23

  The invention relates to new compounds of the formula I to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  这项发明涉及公式I的新化合物，以及它们作为药物的用途，它们的治疗用途的方法，以及含有它们的药物组合物。
• PYRIMIDINE COMPOUND
  申请人：Matsushima Yuji

  公开号：US20110053912A1

  公开（公告）日：2011-03-03

  A novel and excellent method for preventing and/or treating diseases related to a cannabinoid type 2 receptor, based on an agonistic action on a cannabinoid type 2 receptor. It was found that a hetero ring derivative mainly having two substituents, for example, a pyrimidine-5-carboxamide derivative having a substituent amino group at the 2-position, exhibits a potent agonistic action on a cannabinoid type 2 receptor, and can be an agent for preventing and/or treating diseases related to a cannabinoid type 2 receptor such as inflammatory diseases, pain, and the like.

  一种预防和/或治疗与大麻素2型受体相关疾病的新颖优秀方法，基于对大麻素2型受体的激动作用。发现一种异核环衍生物主要具有两个取代基，例如，在2-位置具有取代基氨基的嘧啶-5-羧酰胺衍生物，表现出对大麻素2型受体的强效激动作用，可以成为预防和/或治疗与大麻素2型受体相关疾病，如炎症性疾病、疼痛等的药物。
• AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF
  申请人：Bernardelli Patrick

  公开号：US20110152236A1

  公开（公告）日：2011-06-23

  The invention relates to compounds of the formula (I) where: R is a (C 1 -C 6 )alkyl group, a halo(C 1 -C 6 )alkyl group; R1 is a hydrogen atom; R2 is a heteroaromatic group or a heteroaromatic(C 1 -C 4 )alkyl group, said groups being optionally substituted; R3 and R4 represent independently from each other an optionally substituted phenyl group; Y is a hydrogen atom, a halogen, a cyano, a (C 1 -C 6 )alkyl group, a halo(C 1 -C 6 )alkyl group, a (C 1 -C 6 )alkoxy group, a halo(C 1 -C 6 )alkoxy group or a (C 1 -C 6 )alkylS(O) p group; and p is 0 to 2. Said compounds can be in the form — of a base or a salt for addition to an acid. The invention also relates to a method for preparing same and to the therapeutic application thereof.

  该发明涉及化合物的结构式（I），其中：R是（C1-C6）烷基基团，卤代（C1-C6）烷基基团；R1是氢原子；R2是杂环芳基团或杂环芳基（C1-C4）烷基基团，这些基团可以选择性地被取代；R3和R4分别独立地表示一个可以选择性取代的苯基团；Y是氢原子、卤素、氰基、（C1-C6）烷基基团、卤代（C1-C6）烷基基团、（C1-C6）烷氧基、卤代（C1-C6）烷氧基或（C1-C6）烷基S（O）p基团；p为0至2。所述化合物可以以盐的形式存在，用于与酸发生加成反应。该发明还涉及制备该化合物的方法及其治疗应用。
• Amide Derivatives
  申请人：Nash Ian Alun

  公开号：US20080146566A1

  公开（公告）日：2008-06-19

  The invention concerns a compound of the Formula I (A chemical formula should be inserted here—please see paper copy enclosed herewith) wherein m is 0-2 and each R1 is a group such as hydroxy, halogeno, trifluoromethyl heterocyclyl and heterocyclyloxy; R2 is halogeno, trifluoromethyl or (1-6C)alkyl; R3 is hydrogen, halogeno or (1-6C)alkyl; and R4 is (3-6C)cycloalkyl; or pharmaceutically-acceptable salts thereof; processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines.

  本发明涉及一种化合物，其化学式为I（化学式应在此处插入，请参见随附的纸质副本），其中m为0-2，每个R1是如羟基，卤素，三氟甲基杂环基和杂环氧基等基团; R2是卤素，三氟甲基或（1-6C）烷基; R3是氢，卤素或（1-6C）烷基; R4是（3-6C）环烷基; 或其药学上可接受的盐; 制备它们的方法，含有它们的制药组合物以及它们在治疗由细胞因子介导的疾病或医疗情况中的用途。