methylammonium N-methylthiocarbamate | 41270-28-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代氨基甲酸类
• 英文名称: methylammonium N-methylthiocarbamate
• 英文别名: methyl-thiocarbamic acid; methylamine salt；Methylammonium N-methylthio-carbamate；methylazanium;N-methylcarbamothioate
• CAS: 41270-28-4
• 化学式: CH₅N*C₂H₅NOS
• 分子量: 122.191
• InChiKey: YQDHWZBHSROZSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.27
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  57.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methylammonium N-methylthiocarbamate 、 1-溴频哪酮 以 乙醇 、 水 为溶剂， 反应 12.0h， 以4.75 g的产率得到4-t-butyl-4-hydroxy-3-methylthiazolidin-2-one
  参考文献：
  名称：

  Cornwell, Stephen P.; Kaye, Perry T.; Kent, Alexander G., Journal of the Chemical Society. Perkin transactions I, 1981, p. 2340 - 2343

  摘要：

  DOI：
• 作为产物：
  描述：

  羰基硫 、 甲胺 在 乙醇 作用下， 生成 methylammonium N-methylthiocarbamate
  参考文献：
  名称：

  Freund; Asbrand, Justus Liebigs Annalen der Chemie, 1895, vol. 285, p. 175

  摘要：

  DOI：

文献信息

• [EN] PYRIMIDINE COMPOUNDS<br/>[FR] COMPOSES DE PYRIMIDINE
  申请人：CYCLACEL LTD

  公开号：WO2004043953A1

  公开（公告）日：2004-05-27

  The present invention relates to substituted pyrimidines of formula (I), their preparation, pharmaceutical compositions containing them and their use as inhibitors of cyclin-dependent kinases (CDKs) and hence their use in the treatment of proliferative disorders and/or viral disorders.

  本发明涉及式(I)的取代嘧啶化合物，它们的制备，含有它们的药物组合物，以及它们作为细胞周期依赖性激酶（CDKs）抑制剂的用途，因此可用于治疗增殖性疾病和/或病毒性疾病。
• Thiazolidine derivatives, salidiuretic compositions and methods of
  申请人：Hoechst Aktiengesellschaft

  公开号：US04129656A1

  公开（公告）日：1978-12-12

  4-(Sulfamoyl-phenyl)-4-hydroxy-thiazolidine-derivatives having salidiuretic activity and a process for their manufacture.

  具有利尿活性的4-(磺胺基苯基)-4-羟基噻唑啉衍生物及其制备方法。
• Formation of metal carbonyl derivatives of monothiocarbamates and dithio-carbamates from CS2 and COS
  作者：Luigi Busetto、Antonio Palazzi、Vassilios Foliadis

  DOI：10.1016/s0020-1693(00)91995-9

  日期：1980.1

  variable quantities of (C5H5)Fe(CO)S2CNHCH3 are obtained depending on reaction conditions. The carbamoyl derivatives (C5H5Re(CO)(NO)CONHCH3, cis-(CO)4M(NH2CH3)CONHCH3 (M = Mn, Re) react with CS2 to give (C5H5)Re(CO)(NO)S2CNHCH3 and (CO)4MS2CNHCH3 respectively. The mechanism of thiocarbamate formation is discussed on the basis of chemical evidence which indicates nucleophilic attack of the N-carbamoylic

  （C5H5）Fe（CO）2CONHCH3与CSX的反应（X = O，S）得到（ ）Fe（CO）2SC（X）NHCH3，其中一硫代或二硫代氨基甲酸酯起单齿配体的作用。在二硫化碳的情况下，取决于反应条件，会获得少量可变的（ ）Fe（CO）S2CNHCH3。氨基甲酰基衍生物（ Re（CO）（NO）CONHCH3，顺式（CO）4M（NH2CH3）CONHCH3（M = Mn，Re）与CS2反应生成（ ）Re（CO）（NO）S2CNHCH3和（CO） 4MS2CNHCH3分别根据化学证据讨论了硫代氨基甲酸酯的形成机理，化学证据表明N-氨基甲酸酯原子对CSX试剂碳的亲核攻击。
• Pyrimidine compounds
  申请人：Wang Shudong

  公开号：US20050192300A1

  公开（公告）日：2005-09-01

  The present invention relates to substituted pyrimidines of formula I, their preparation, pharmaceutical compositions containing them and their use as inhibitors of cyclin-dependent kinases (CDKs) and hence their use in the treatment of proliferative disorders and/or viral disorders.

  本发明涉及式I的取代嘧啶、其制备、含有它们的药物组合物以及它们作为细胞周期蛋白依赖性激酶（CDKs）抑制剂的应用，因此可用于治疗增殖性疾病和/或病毒性疾病。
• Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy
  申请人：Wang Shudong

  公开号：US20070021452A1

  公开（公告）日：2007-01-25

  The present invention relates to compounds of formula I, or pharmaceutically acceptable salts thereof, wherein R 1 and R 5 are each independently H, C(OR j′ ) or a hydrocarbyl group optionally substituted by one or more R 6 groups; R 2 , R 3 , and R 4 are each independently H, alkyl or alkenyl, each of which may be optionally substituted with one or more R 7 groups; R 6 and R 7 are each independently halogen, NO 2 , CN, (CH 2 ) m OR a , O(CH 2 ) n OR b , (CH 2 ) p NR c R d , CF 3 , COOR e , CONR f R g , COR h , SO 3 H, SO 2 R i , SO 2 NR j R k , (CH 2 ) q NR a′ COR g′ , R f′ , (CH 2 ) r NR b′ SO 2 R h′ , SO 2 NR d′ R i′ , SO 2 NR e′ (CH 2 ) s OR c′ , heterocycloalkyl or heteroaryl, wherein said heterocycloalkyl and heteroaryl may be optionally substituted by one or more substituents selected from aralkyl, sulfonyl, R m and COR n ; R g′ , R h′ , R i′ and R j′ are each independently selected from alkyl, aryl, aralkyl and heteroaryl, each of which may be optionally substituted with one or more substituents selected from halogen, OH, NO 2 , NH 2 CF 3 and COOH; m, p, q and r are each independently 0, 1, 2 or 3; n and s are each independently 1, 2, or 3; and R a-n and R a′-f′ are each independently H or alkyl. Further aspects of the invention relate to pharmaceutical compositions comprising such compounds, and their use in the preparation of a medicament for treating one or more of the following: a proliferative disorder, a viral disorder, a CNS disorder, a stroke, alopecia and diabetes.

  本发明涉及公式I的化合物或其药学上可接受的盐，其中R1和R5各自独立地为H，C（ORj'）或一种或多种R6基团选择性取代的烃基基团；R2，R3和R4各自独立地为H，烷基或烯基，每个基团都可以选择性地用一种或多种R7基团取代；R6和R7各自独立地为卤素，NO2，CN，（CH2）mORa，O（ ）nORb，（ ）pNRcRd，CF3，COORe，CONRfRg，CORh，SO3H，SO2Ri，SO2NRjRk，（ ）qNRa′CORg′，Rf′，（ ）rNRb′SO2Rh′，SO2NRd′Ri′，SO2NRe′（ ）sORc′，杂环烷基或杂环芳基，其中所述杂环烷基和杂环芳基可以选择性地用一种或多种取代基选自芳基烷基，磺酰基，Rm和CORn取代；Rg'，Rh'，Ri'和Rj'各自独立地选择自烷基，芳基，芳基烷基和杂环芳基，每个基团都可以选择性地用一种或多种取代基选自卤素，OH， ，NH2， 和COOH；m，p，q和r各自独立地为0，1，2或3；n和s各自独立地为1，2或3；以及Ra-n和Ra′-f′各自独立地为H或烷基。本发明的另一方面涉及包含这种化合物的制药组合物，以及它们在制备用于治疗增殖性疾病、病毒性疾病、中枢神经系统疾病、中风、脱发和糖尿病的药物的过程中的应用。