5-formyl-4-methyl-2-methylthiopyrimidine | 84755-30-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-formyl-4-methyl-2-methylthiopyrimidine
• 英文别名: 4-Methyl-2-(methylthio)pyrimidine-5-carbaldehyde；4-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde
• CAS: 84755-30-6
• 化学式: C₇H₈N₂OS
• 分子量: 168.219
• InChiKey: USAOTNPPRRYVHF-UHFFFAOYSA-N

物化性质

• 沸点：
  316.0±22.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  68.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P264,P270,P272,P280,P301+P312+P330,P302+P352,P333+P313,P363,P501
• 危险性描述：
  H302,H317

反应信息

• 作为反应物：
  描述：

  甲基三苯基碘化膦 、 5-formyl-4-methyl-2-methylthiopyrimidine 在 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 4.5h， 以60%的产率得到4-methyl-2-methylthio-5-vinylpyrimidine
  参考文献：
  名称：

  Sandosham, Jessie; Benneche, Tore; Moeller, Bjoerg, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1988, vol. 42, # 7, p. 455 - 461

  摘要：

  DOI：
• 作为产物：
  描述：

  5-(bromomethyl)-4-methyl-2-(methylthio)pyrimidine 在 碳酸氢钠 、 二甲基亚砜 作用下， 以63%的产率得到5-formyl-4-methyl-2-methylthiopyrimidine
  参考文献：
  名称：

  Highly regioselective bromination reactions of polymethylpyrimidines

  摘要：

  4,5-Dimethyl- and 4,5,6-trimethyl-substituted pyrimidines are brominated at C5-Me with NBS in CCl4 and at C4(6)-Me with bromine in acetic acid to give the corresponding bromomethyl derivatives in a high yield. The remaining methyl group(s) can also be brominated with high regioselectivity. The 2-methylthio substituent is not oxidized under these conditions.

  DOI：

  10.1021/jo00019a028

文献信息

• AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS
  申请人：Palle Venkata P.

  公开号：US20090036472A1

  公开（公告）日：2009-02-05

  The present invention relates to novel azabicyclo derivatives of Formula (I) as anti-inflammatory agents which are useful for inhibition and prevention of inflammation and associated pathologies including inflammatory and autoimmune diseases such as sepsis, rheumatoid arthritis, inflammatory bowel disease, type-1 diabetes, asthma, chronic obstructive pulmonary disorder, organ transplant rejection and psoriasis.

  本发明涉及一种新型的Formula (I)的氮杂双环衍生物，作为抗炎药物，可用于抑制和预防炎症及相关病理，包括脓毒症、类风湿关节炎、炎症性肠病、1型糖尿病、哮喘、慢性阻塞性肺病、器官移植排斥反应和牛皮癣。
• PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS
  申请人：Palle Venkata P.

  公开号：US20090131430A1

  公开（公告）日：2009-05-21

  The present invention relates to novel azabicyclo derivatives as anti-inflammatory agents. The compounds provided herein can be useful for inhibition and prevention of inflammation and associated pathologies including inflammatory and autoimmune diseases such as sepsis, rheumatoid arthritis, inflammatory bowel disease, type-1 diabetes, asthma, chronic obstructive pulmonary disorder, organ transplant rejection and psoriasis. Also provided herein are pharmacological compositions containing compounds provided herein and associated methods of treating sepsis, rheumatoid arthritis, inflammatory bowel disease, type-1 diabetes, asthma, chronic obstructive pulmonary disorder, organ transplant rejection and psoriasis, and other inflammatory and/or autoimmune disorders, using the compounds.

  本发明涉及新型的azabicyclo衍生物，作为抗炎药物。本文提供的化合物可用于抑制和预防炎症及相关病理，包括炎症和自身免疫性疾病，如败血症、类风湿性关节炎、炎症性肠病、1型糖尿病、哮喘、慢性阻塞性肺疾病、器官移植排斥和牛皮癣。本文还提供了含有本文提供的化合物的药理组合物以及使用这些化合物治疗败血症、类风湿性关节炎、炎症性肠病、1型糖尿病、哮喘、慢性阻塞性肺疾病、器官移植排斥和牛皮癣等其他炎症和/或自身免疫性疾病的方法。
• Substituted pyrimidin-2-ones and the salts thereof
  申请人：NYCOMED AS

  公开号：EP0087326A1

  公开（公告）日：1983-08-31

  ompounds of the general formula :- wherein X represents halogen or trifluoromethyl; R1 and R2, independently represent hydrogen or lower alkyl; R3, R4 and R5, which may be the same or different, each represent hydrogen, lower alkyl, lower alkenyl, lower alkynyl, lower alkanoyl, lower alkenoyl, C7-16 aralkyl or C6-10 aryl or a 5-9 membered unsaturated or aromatic heterocyclic ring: one or both of R4 and R5 may also represent aroyl groups; Z represents an oxygen atom or a sulfur atom or oxide thereof or a group NR6 (wherein R6 is as defined for R hereinafter or represents the group COR7 in which R7 represents hydrogen or optionally substituted aryl, heterocyclic, aralkyl, lower alkyl or lower alkoxy group; and R represents a C6-10 carbocyclic aromatic group or a heterocyclic group containing a 5-9 membered unsaturated or aromatic heterocyclic ring which ring contains one or more heteroatoms selected from O. N and S and optionally carries a fused ring which carbocyclic or heterocyclic group may carry one or more C1-4 alkyl or phenyl groups said groups being optionally substituted; and where acid or basic groups are present, the salts thereof are useful in combating abnormal cell proliferation. The compounds of the invention are prepared by inter alia alkylation, ring closure and oxidation.

  通式如下的化合物 其中 X 代表卤素或三氟甲基； R1 和 R2 各自代表氢或低级烷基； R3、R4 和 R5（可以相同或不同）各自代表氢、低级烷基、低级烯基、低级炔基、低级烷酰基、低级烯酰基、C7-16 芳基或 C6-10 芳基或 5-9 分子不饱和或芳香杂环：R4 和 R5 中的一个或两个还可以代表芳基； Z 代表氧原子或硫原子或其氧化物或基团 NR6（其中 R6 与下文中 R 的定义相同）或代表基团 COR7（其中 R7 代表氢或任选取代的芳基、杂环基、芳烷基、低级烷基或低级烷氧基）；以及 R代表C6-10碳环芳香基团或含有5-9个成员的不饱和或芳香杂环的杂环基团，该环含有一个或多个选自O、N和S的杂原子，并可选择带有一个融合环，该碳环或杂环基团可带有一个或多个C1-4烷基或苯基，所述基团可选择被取代；当存在酸性或碱性基团时，其盐类可用于对抗异常细胞增殖。 本发明的化合物可通过烷基化、闭环和氧化等方法制备。
• PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER
  申请人：Icahn School of Medicine at Mount Sinai

  公开号：EP3733184A1

  公开（公告）日：2020-11-04

  This disclosure relates to compounds, methods for their preparation, pharmaceutical compositions including these compounds and methods for the treatment of cellular proliferative disorders, including, but not limited to, cancer.

  本公开涉及化合物、其制备方法、包括这些化合物的药物组合物以及治疗细胞增殖性疾病（包括但不限于癌症）的方法。
• Benneche,Tore; Undheim,Kjell, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1982, vol. 36, # 8, p. 529 - 532
  作者：Benneche,Tore、Undheim,Kjell

  DOI：——

  日期：——