2-mesityl-acetoacetonitrile | 59146-33-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-mesityl-acetoacetonitrile
• 英文别名: 2-(2.4.6-Trimethyl-phenyl)-acetessigsaeure-nitril；2-mesityl-3-oxobutanenitrile；3-oxo-2-(2,4,6-trimethyl-phenyl)-butyronitrile；3-Oxo-2-(2,4,6-trimethylphenyl)butanenitrile
• CAS: 59146-33-7
• 化学式: C₁₃H₁₅NO
• 分子量: 201.268
• InChiKey: OOKIZJOABHCBAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-mesityl-acetoacetonitrile 在 溶剂黄146 、 肼 作用下， 以 甲苯 为溶剂， 生成 4-均三甲苯基-5-甲基-1H-吡唑-3-胺
  参考文献：
  名称：

  Discovery and evaluation of pyrazolo[1,5-a]pyrimidines as neuropeptide Y1 receptor antagonists

  摘要：

  A novel series of pyrazolo[1,5-a]pyrimidine derivatives was synthesized and evaluated as NPY Y1R antagonists. High binding affinity and selectivity were achieved with C3 trisubstituted aryl groups and C7 substituted 2-(tetrahydro-2H-pyran-4-ylamino)ethylamine moieties. Efforts to find close analogs with low plasma clearance in the rat and minimal p-glycoprotein efflux in the mouse were unsuccessful. Compound 2f (CP-671906) inhibited NPY-induced increases in blood pressure and food intake after iv and icv administration, respectively, in Sprague-Dawley (SD) rat models. Oral administration of compound 2f resulted in a modest, but statistically significant, reduction in food intake in a Wistar rat model of feeding behavior. Small inhibitions of food intake were also observed in an overnight fasting/refeeding model in SD rats. These data suggest a potential role for Y1R in the regulation of food intake in rodents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.116
• 作为产物：
  描述：

  2,4,6-三甲基氰苄 以 四氢呋喃 、 甲醇 、 乙酸乙酯 为溶剂， 生成 2-mesityl-acetoacetonitrile
  参考文献：
  名称：

  Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same

  摘要：

  本发明提供了一种具有优异的促肾上腺皮质激素释放因子受体拮抗活性的新化合物。即提供了由以下公式表示的化合物，其药理学上可接受的盐或水合物。其中A、B和D相互相同或不同，每个代表以下公式表示的基团：—(CR1R2)m—（其中R1和R2相互相同或不同，每个代表C1-6烷基等），—NR3—（其中R3代表氢等）等；E和G相互相同或不同，每个代表以下公式表示的基团：—(CR6R7)p—（其中R6和R7相互相同或不同，每个代表氢等；p代表0、1或2的整数）；J代表一个碳原子或氮原子，每个都被C1-6烷基等可选择地取代的卤素原子等取代；K和L相互相同或不同，每个代表碳原子或氮原子；M代表氢、卤素原子、可选择地取代的C1-6烷基等；部分结构表示单键或双键。

  公开号：

  US20030078277A1

文献信息

• Metal‐free ring opening of 5‐amino‐1, <scp> 4‐diaryl‐1 <i>H</i> </scp> ‐pyrazoles: A facile access to 2‐aryl‐3‐arylazoacrylonitriles
  作者：Arpita Chatterjee、Divya Radhakrishnan、Debashruti Bandyopadhyay、Selvaraj Kanchithalaivan、Saravanan Peruncheralathan

  DOI：10.1002/jhet.4439

  日期：2022.6

  2-aryl-3-arylazoacrylonitriles are synthesized while attempting the intramolecular N-arylation of 5-aminopyrazoles, using the hypervalent iodine reagent. The synthesis involves phenyl iodine diacetate-assisted ring opening of 5-aminopyrazoles at room temperature. A plausible mechanism for the formation of azoalkenes is proposed.

  在尝试使用高价碘试剂对 5-氨基吡唑进行分子内N-芳基化的同时，合成了各种 2-芳基-3-芳基偶氮丙烯腈。该合成涉及苯基碘二乙酸酯在室温下辅助 5-氨基吡唑的开环。提出了形成偶氮烯烃的合理机制。
• SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES
  申请人：——

  公开号：US20010007867A1

  公开（公告）日：2001-07-12

  This invention relates to compounds of the formula 1 wherein A, B, D, E K, I, G, R 3 and R 5 are defined as in the specification, and to the pharmaceutically acceptable salts of such compounds.

  这项发明涉及公式1中的化合物，其中A、B、D、E、K、I、G、R3和R5的定义如规范中所述，并涉及这些化合物的药用可接受盐。
• Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it
  申请人：Hibi Shigeki

  公开号：US20050004159A1

  公开（公告）日：2005-01-06

  The present invention provides a novel compound having an excellent corticotrophin-releasing-factor receptor antagonistic activity. That is, it provides a compound represented by the following formula, a pharmacologically acceptable salt thereof or hydrates thereof. Wherein A, B and D are the same as or different from each other and each represents a group represented by the formula —(CR 1 R 2 ) m — (wherein R 1 and R 2 are the same as or different from each other and each represents a C 1-6 alkyl group etc.), —NR 3 — (wherein R 3 represetns hydrogen etc.) etc.; E and G are the same as or different from each other and each represents a group represented by the formula —(CR 6 R 7 ) p — (wherein R 6 and R 7 are the same as or different from each other and each represents hydrogen etc.; and p represents an integer of 0, 1 or 2); J represents a carbon atom or nitrogen atom, each substituted with C 1-6 alkyl group optionally substituted with a halogen atom, etc.; K and L are the same as or different from each other and each represents carbon atom or nitrogen atom; M means hydrogen, a halogen atom, an optionally substituted C 1-6 alkyl group etc.; and the partial structure means a single or double bond.

  本发明提供了一种具有优异的促肾上腺皮质激素释放因子受体拮抗活性的新化合物。即，本发明提供了由以下式表示的化合物，其药学上可接受的盐或水合物。其中，A、B和D相同或不同，每个代表由公式—（CR1R2）m—（其中R1和R2相同或不同，每个代表C1-6烷基等）、—NR3—（其中R3表示氢等）等表示的基团；E和G相同或不同，每个代表由公式—（CR6R7）p—（其中R6和R7相同或不同，每个代表氢等；p表示0、1或2的整数）表示的基团；J代表一个碳原子或氮原子，每个用C1-6烷基取代，可选择用卤原子等取代；K和L相同或不同，每个代表碳原子或氮原子；M表示氢、卤原子、可选择用取代的C1-6烷基等取代；而部分结构表示单键或双键。
• Substituted 6,5-hetero-bicyclic derivatives
  申请人：Chen L. Yuhpyng

  公开号：US20050009823A1

  公开（公告）日：2005-01-13

  This invention relates to compounds of the formula wherein A, B, D, E, K, T, G, R 3 and R 5 are defined as in the specification, and to the pharmaceutically acceptable salts of such compounds.

  本发明涉及公式中的化合物，其中A、B、D、E、K、T、G、R3和R5的定义如规范中所述，并且涉及这些化合物的药学上可接受的盐。
• FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME
  申请人：Eisai Co., Ltd.

  公开号：EP1238979A1

  公开（公告）日：2002-09-11

  The present invention provides a novel compound having an excellent corticotrophin-releasing-factor receptor antagonistic activity. That is, it provides a compound represented by the following formula, a pharmacologically acceptable salt thereof or hydrates thereof. Wherein A, B and D are the same as or different from each other and each represents a group represented by the formula - (CR1R2)m- (wherein R1 and R2 are the same as or different from each other and each represents a C1-6 alkyl group etc.), -NR3- (wherein R3 represetns hydrogen etc.) etc.; E and G are the same as or different from each other and each represents a group represented by the formula - (CR6R7)p- (wherein R6 and R7 are the same as or different from each other and each represents hydrogen etc.; and p represents an integer of 0, 1 or 2); J represents a carbon atom or nitrogen atom, each substituted with C1-6 alkyl group optionally substituted with a halogen atom, etc.; K and L are the same as or different from each other and each represents carbon atom or nitrogen atom; M means hydrogen, a halogen atom, an optionally substituted C1-6 alkyl group etc.; and the partial structure ----- means a single or double bond.

  本发明提供了一种新型化合物，它具有优异的促肾上腺皮质激素释放因子受体拮抗活性。也就是说，本发明提供了由下式表示的化合物、其药理学上可接受的盐或其水合物。 其中 A、B 和 D 彼此相同或不同，且各自代表由式 - (CR1R2)m- （其中 R1 和 R2 彼此相同或不同，且各自代表 C1-6 烷基等）、-NR3-（其中 R3 代表氢等）等表示的基团；E 和 G 彼此相同或不同，且各自代表由式 - (CR6R7)p- （其中 R6 和 R7 彼此相同或不同，且各自代表氢等）表示的基团。其中 R6 和 R7 彼此相同或不同，各自代表氢等；p 代表 0、1 或 2 的整数）；J 代表碳原子或氮原子，各自被 C1-6 烷基任选取代，并被卤素原子等取代；K 和 L 彼此相同或不同，各自代表碳原子或氮原子；M 指氢、卤素原子、任选取代的 C1-6 烷基等；部分结构 ----- 指单键或双键。