5-甲基-4-嘧啶甲腈(9ci) | 114969-63-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 5-甲基-4-嘧啶甲腈(9ci)
• 中文别名: 4-嘧啶甲腈,5-甲基-(9CI)
• 英文名称: 5-methylpyrimidine-4-carbonitrile
• CAS: 114969-63-0
• 化学式: C₆H₅N₃
• mdl: MFCD18820938
• 分子量: 119.126
• InChiKey: SXYJWIDDRHKVCY-UHFFFAOYSA-N

物化性质

• 沸点：
  254℃
• 密度：
  1.16
• 闪点：
  98℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  49.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-甲基嘧啶 在 三乙胺 、 间氯过氧苯甲酸 作用下， 以 氯仿 、 乙腈 为溶剂， 反应 27.0h， 生成 5-甲基-4-嘧啶甲腈(9ci)
  参考文献：
  名称：

  Yamanaka, Hiroshi; Sakamoto, Takao; Nishimura, Sumiko, Chemical and pharmaceutical bulletin, 1987, vol. 35, # 8, p. 3119 - 3126

  摘要：

  DOI：

文献信息

• [EN] TRICYCLIC HETEROCYCLES AS ANTICANCER AGENTS<br/>[FR] HÉTÉROCYCLES TRICYCLIQUES EN TANT QU'AGENTS ANTICANCÉREUX
  申请人：ICAHN SCHOOL MED MOUNT SINAI

  公开号：WO2014130534A1

  公开（公告）日：2014-08-28

  Tricyclic chemical modulators of FOXO transcription factor proteins are disclosed. The compounds are useful to treat cancer, age-onset proteotoxicity, stress-induced depression, inflammation, and acne. The compounds are of the following and similar genera (i), (ii) and (iii), in which Het is an aromatic heterocyclic ring and Y is a point of attachment of various side chains and rings. An example of such a compound is 4-chloro-N-(3-(10,11-dihydro-5H-benzo[b]pyrido[2,3-f]azepin-5-yl)propyl)benzenesulfonamide (iv).

  揭示了对FOXO转录因子蛋白的三环化学调节剂。这些化合物可用于治疗癌症、年龄相关的蛋白质毒性、压力诱导的抑郁症、炎症和痤疮。这些化合物属于以下和类似的类别（i）、（ii）和（iii），其中Het是芳香杂环环，Y是各种侧链和环的连接点。这类化合物的一个例子是4-氯-N-(3-(10,11-二氢-5H-苯并[b]吡啶[2,3-f]氮杂环-5-基)丙基)苯磺酰胺（iv）。
• 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT
  申请人：Confluence Life Sciences Inc.

  公开号：US20150203499A1

  公开（公告）日：2015-07-23

  The present disclosure provides 4-alkoxy/aralkoxy-5-substituted-pyrrolopyrimidine compounds, pharmaceutically acceptable salts, solvates and pharmaceutical compositions of compounds embraced by Formula (I), providing a therapeutic benefit to subjects with disease conditions, especially cancer, wherein R 1 and R 2 are as defined in the detailed description.

  本公开提供4-烷氧基/芳氧基-5-取代-吡咯蒽嘧啶化合物、药学上可接受的盐、溶剂和由式(I)所包含的化合物组成的制药组合物，为患有疾病情况的受试者提供治疗益处，特别是癌症，其中R1和R2如详细说明中所定义。
• TRICYCLIC HETEROCYCLES AS ANTICANCER AGENTS
  申请人：ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI

  公开号：US20150376191A1

  公开（公告）日：2015-12-31

  Tricyclic chemical modulators of FOXO transcription factor proteins are disclosed. The compounds are useful to treat cancer, age-onset proteotoxicity, stress-induced depression, inflammation, and acne. The compounds are of the following and similar genera: in which Het is an aromatic heterocyclic ring and Y is a point of attachment of various side chains and rings. An example of such a compound is 4-chloro-N-(3-(10,11-dihydro-5H-benzo[b]pyrido[2,3-f]azepin-5-yl)propyl)benzenesulfonamide:

  本发明公开了三环化学调节剂FOXO转录因子蛋白的化合物。这些化合物可用于治疗癌症、年龄相关的蛋白毒性、压力诱导性抑郁症、炎症和痤疮。这些化合物属于以下及类似属：其中Het是芳香族杂环环，Y是各种侧链和环的连接点。这样一个化合物的例子是4-氯-N-（3-（10,11-二氢-5H-苯并[b]吡啶[2,3-f]氮杂环-5-基）丙基）苯磺酰胺。
• Electroluminescent material, method for manufacturing same, and light emitting device
  申请人：Wuhan China Star Optoelectronics Semiconductor Display Technology Co., Ltd.

  公开号：US11322694B2

  公开（公告）日：2022-05-03

  The present application provides an electroluminescent material, a method for manufacturing an electroluminescent material, and a light emitting device, by employing the strong electron-withdrawing group such as cyano, pyridine, pyrimidine, or s-triazine to enhance the electron-withdrawing property of the fluorenone receptor unit, a captodative electron effect between the electron donor unit and the electron acceptor unit in the molecule is enhanced, so that the intermolecular charge transfer property is enhanced while the red light shifts, thereby further reducing the energy level difference between the single-line energy level and the triplet energy level of the target molecule, to realize a long life span, red light emitted electroluminescent material, a method for manufacturing the electroluminescent material and a light emitting device.

  本申请提供了一种电致发光材料、一种电致发光材料的制造方法和一种发光器件，通过采用氰基、吡啶、嘧啶或s-三嗪等强吸电子基团增强芴酮受体单元的吸电子特性，增强分子中电子供体单元与电子受体单元之间的俘获电子效应、从而在红光转移的同时增强分子间电荷转移特性，进一步降低目标分子的单线能级和三重能级之间的能级差，实现长寿命、红光发光的电致发光材料、电致发光材料的制造方法和发光器件。
• YAMANAKA, HIROSHI;SAKAMOTO, TAKAO;NISHIMURA, SUMIKO;SAGI, MATAICHI, CHEM. AND PHARM. BULL., 35,(1987) N 8, 3119-3126
  作者：YAMANAKA, HIROSHI、SAKAMOTO, TAKAO、NISHIMURA, SUMIKO、SAGI, MATAICHI

  DOI：——

  日期：——