4-氯-5-乙基-6-甲基噻吩并[2,3-d]嘧啶 | 439692-90-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 中文名称: 4-氯-5-乙基-6-甲基噻吩并[2,3-d]嘧啶
• 英文名称: 4-chloro-5-ethyl-6-methylthiopheno[2,3-d]pyrimidine
• 英文别名: 4-Chloro-5-ethyl-6-methylthieno[2,3-d]pyrimidine
• CAS: 439692-90-7
• 化学式: C₉H₉ClN₂S
• mdl: MFCD10686578
• 分子量: 212.703
• InChiKey: SDTNZUUFPBXYEW-UHFFFAOYSA-N

物化性质

• 沸点：
  329.0±37.0 °C(Predicted)
• 密度：
  1.325±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4-氯-5-乙基-6-甲基噻吩并[2,3-d]嘧啶 在 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 2-(5-Ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
  参考文献：
  名称：

  Stimulation of cortical bone formation with thienopyrimidine based inhibitors of Notum Pectinacetylesterase

  摘要：

  A group of small molecule thienopyrimidine inhibitors of Notum Pectinacetylesterase are described. We explored both 2-((5,6-thieno[2,3-d]pyrimidin-4-yl)thio)acetic acids and 2-((6,7-thieno[3,2-d]pyrimidin-4-yl)thio)acetic acids. In both series, highly potent, orally active Notum Pectinacetylesterase inhibitors were identified. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.02.021
• 作为产物：
  描述：

  5-乙基-6-甲基-3H-噻吩并[2,3-d]嘧啶-4-酮 在 三乙胺 、 三氯氧磷 作用下， 生成 4-氯-5-乙基-6-甲基噻吩并[2,3-d]嘧啶
  参考文献：
  名称：

  使用 Gewald 反应方便高效合成一些新型稠合噻吩并嘧啶

  摘要：

  摘要 通过Gewald反应等简便的合成方法合成了几种功能化的噻吩并嘧啶，并通过光谱和分析数据进行了表征。这些功能化的噻吩并嘧啶被转化为各种具有生物学重要性的新化学实体，例如 2-哌嗪甲基噻吩并嘧啶 (6, 8)、4-二甲氨基乙氧基噻吩并嘧啶 (11) 和 3-二甲氨基乙基噻吩并嘧啶 (12)。筛选由此合成的所有化合物的体外生物活性。一些化合物显示出有希望的血清素 5-HT6 受体拮抗剂活性。

  DOI：

  10.1080/00397911.2010.515357

文献信息

• Convenient and Efficient Synthesis of Some Novel Fused Thieno Pyrimidines Using Gewald's Reaction
  作者：Ramakrishna V. S. Nirogi、Rama Sastri Kambhampati、Prabhakar Kothmirkar、Sobhanadri Arepalli、Narasimha Reddy G. Pamuleti、Anil K. Shinde、P. K. Dubey

  DOI：10.1080/00397911.2010.515357

  日期：2011.10

  Abstract Several functionalized thienopyrimidines were synthesized by a facile synthetic method, which includes Gewald's reaction, and were characterized by spectral and analytical data. These functionalized thienopyrimidines were converted to various new chemical entities of biological importance, such as 2-piperazinymethyl thienopyrimidines (6, 8), 4-dimethylaminoethoxy thienopyrimidines (11), and

  摘要 通过Gewald反应等简便的合成方法合成了几种功能化的噻吩并嘧啶，并通过光谱和分析数据进行了表征。这些功能化的噻吩并嘧啶被转化为各种具有生物学重要性的新化学实体，例如 2-哌嗪甲基噻吩并嘧啶 (6, 8)、4-二甲氨基乙氧基噻吩并嘧啶 (11) 和 3-二甲氨基乙基噻吩并嘧啶 (12)。筛选由此合成的所有化合物的体外生物活性。一些化合物显示出有希望的血清素 5-HT6 受体拮抗剂活性。
• SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED

  公开号：US20130266563A1

  公开（公告）日：2013-10-10

  Selenophene compounds of formula (I) are described herein. In the compounds of Formula (I), ring A is a 6-membered aromatic fused ring, optionally containing one, two or three nitrogen atoms; a 5-membered heteroaromatic fused ring; or a mono- or bicyclic saturated heterocyclic fused ring having at least one ring member selected from the group consisting of N, O, S, SO and SO 2 ; Y in ring B is nitrogen or substituted carbon; X is NR 6 , O, S, S(O), or S(O) 2 . R 1 , R 2 , R 3 , R 4 , and R 6 are defined in the specification. Selenophene compounds of formula (I) may be used in methods of treating cell proliferative disorders, particularly cancer. Pharmaceutical compositions containing selenophene compounds of formula (I) may be used for treatment, inhibition, or control of cancer.

  Selenophene化合物的化学式（I）在此描述。在化合物的化学式（I）中，环A是一个6元芳香融合环，可选地含有一个、两个或三个氮原子；一个5元杂芳融合环；或者至少有一个环成员选自N、O、S、SO和SO2的单环或双环饱和杂环融合环；环B中的Y是氮或取代碳；X是NR6、O、S、S（O）或S（O）2。R1、R2、R3、R4和R6在规范中有定义。化学式（I）的Selenophene化合物可用于治疗细胞增殖紊乱的方法，特别是癌症。含有化学式（I）的Selenophene化合物的药物组合物可用于治疗、抑制或控制癌症。
• Substituted 4-(selenophen-2(or-3)-ylamino)pyrimidine compounds and methods of use thereof
  申请人：Kasina Laila Innova Pharmaceuticals Private Limited

  公开号：US08815879B2

  公开（公告）日：2014-08-26

  Selenophene compounds of formula (I) are described herein. In the compounds of Formula (I), ring A is a 6-membered aromatic fused ring, optionally containing one, two or three nitrogen atoms; a 5-membered heteroaromatic fused ring; or a mono- or bicyclic saturated heterocyclic fused ring having at least one ring member selected from the group consisting of N, O, S, SO and SO2; Y in ring B is nitrogen or substituted carbon; X is NR6, O, S, S(O), or S(O)2. R1, R2, R3, R4, and R6 are defined in the specification. Selenophene compounds of formula (I) may be used in methods of treating cell proliferative disorders, particularly cancer. Pharmaceutical compositions containing selenophene compounds of formula (I) may be used for treatment, inhibition, or control of cancer.

  本文描述了公式（I）的硒杂苯化合物。在公式（I）的化合物中，环A是一个6元芳香融合环，可选地含有一个、两个或三个氮原子；一个5元杂芳融合环；或者是至少有一个环成员选自N、O、S、SO和SO2的单环或双环饱和杂环融合环；环B中的Y是氮或取代的碳；X是NR6、O、S、S（O）或S（O）2。R1、R2、R3、R4和R6在规范中有定义。公式（I）的硒杂苯化合物可用于治疗细胞增殖性疾病，特别是癌症。含有公式（I）的硒杂苯化合物的制药组合物可用于治疗、抑制或控制癌症。
• Discovery of novel thieno[2,3-d]pyrimidin-4-yl hydrazone-based inhibitors of Cyclin D1-CDK4: Synthesis, biological evaluation, and structure–activity relationships
  作者：Takao Horiuchi、Jun Chiba、Kouichi Uoto、Tsunehiko Soga

  DOI：10.1016/j.bmcl.2008.11.090

  日期：2009.1

  The synthesis and evaluation of new analogues of thieno[2,3-d]pyrimidin-4-yl hydrazones are described. 2-Pyrdinecarboxaldehyde [6-(tert-butyl)thieno[2,3-d]pyrimidine-4-yl]hydrazone derivatives have been identified as cyclin-dependent kinase 4 (CDK4) inhibitors. The potency, selectivity pro. le, and structure-activity relationship of this series of compounds are discussed. (C) 2008 Elsevier Ltd. All rights reserved.
• SUBSTITUTED 4-(SELENOPHEN-2(OR 3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Kasina Laila Innova Pharmaceuticals Private Ltd.

  公开号：EP2640392A2

  公开（公告）日：2013-09-25