1-(2-(trifluoromethyl)pyridin-4-yl)urea | 1670289-42-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(2-(trifluoromethyl)pyridin-4-yl)urea
• 英文别名: 1-(2-(Trifluoromethyl)pyridin-4-yl)urea；[2-(trifluoromethyl)pyridin-4-yl]urea
• CAS: 1670289-42-5
• 化学式: C₇H₆F₃N₃O
• 分子量: 205.139
• InChiKey: CMKFZPXBXXQENP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  68
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2-(trifluoromethyl)pyridin-4-yl)urea 、 1,3-环己二酮 、 4-氰基苯甲醛 在 三甲基氯硅烷 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 1.5h， 以410 mg的产率得到1-((4-cyanophenyl)(2-hydroxy-6-oxocyclohex-1-enyl)methyl)-3-(2-(trifluoromethyl)-pyridin-4-yl)urea
  参考文献：
  名称：

  [EN] SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY
  [FR] DIHYDROPYRIMIDINONES BICYCLIQUES SUBSTITUÉES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE L'ACTIVITÉ ÉLASTASE DE NEUTROPHILES

  摘要：

  这项发明涉及式（1）的取代双环二氢嘧啶酮及其作为中性粒细胞弹性蛋白酶活性抑制剂的用途，含有这些化合物的药物组合物，以及将其用作治疗和/或预防肺部、胃肠道和泌尿系统疾病、皮肤和眼睛的炎症性疾病以及其他自身免疫和过敏性疾病、移植物排斥反应和肿瘤性疾病的药剂的方法。

  公开号：

  WO2014135414A1

文献信息

• [EN] SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY<br/>[FR] DIHYDROPYRIMIDINONES BICYCLIQUES SUBSTITUÉES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE L'ACTIVITÉ ÉLASTASE DE NEUTROPHILES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014135414A1

  公开（公告）日：2014-09-12

  This invention relates to substituted bicyclic dihydropyrimidinones of formula (1) and their use as inhibitors of neutrophil elastase activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of pulmonary, gastrointestinal and genitourinary diseases, inflammatory diseases of the skin and the eye and other autoimmune and allergic disorders, allograft rejection, and oncological diseases.

  这项发明涉及式（1）的取代双环二氢嘧啶酮及其作为中性粒细胞弹性蛋白酶活性抑制剂的用途，含有这些化合物的药物组合物，以及将其用作治疗和/或预防肺部、胃肠道和泌尿系统疾病、皮肤和眼睛的炎症性疾病以及其他自身免疫和过敏性疾病、移植物排斥反应和肿瘤性疾病的药剂的方法。
• [EN] NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS<br/>[FR] NOUVEAUX DÉRIVÉS PYRAZOLO-PYRIMIDINE ET LEUR UTILISATION COMME INHIBITEURS DE MALT1
  申请人：NOVARTIS AG

  公开号：WO2015181747A1

  公开（公告）日：2015-12-03

  The present invention describes new pyrazolo-pyrimidine derivatives of formula (I) or a pharmaceutically acceptable salt thereof; (I) wherein, R1 is halogen, cyano, or C1-C3alkyl optionally substituted by halogen; R2 is C1-C6alkyl optionally substituted one or more times by C1-C6alkyl, C2-C6alkenyl, hydroxyl, N,N-di-C1-C6alkyl amino, N-mono-C1-C6alkyl amino, O-Rg, Rg, phenyl, or by C1-C6alkoxy wherein said alkoxy again may optionally be substituted by C1-C6alkoxy, N,N-di-C1-C6alkyl amino, Rg or phenyl; C3-C6cycloalkyl optionally substituted by C1-C6alkyl, N,N-di-C1-C6alkyl amino or C1-C6alkoxy-C1-C6alkyl, and/or two of said optional substituents together with the atoms to which they are bound may form an annulated or spirocyclic 4 - 6 membered saturated heterocyclic ring comprising 1 - 2 O atoms; phenyl optionally substituted by C1-C6alkoxy; a 5 - 6 membered heteroaryl ring having 1 to 3 heteroatoms selected from N and O said ring being optionally substituted by C1-C6alkyl which may be optionally substituted by amino or hydroxy; Rg; or N,N-di-C1-C6alkyl amino carbonyl; and R is phenyl independently substituted two or more times by Ra, 2-pyridyl independently substituted one or more times by Rb, 3-pyridyl independently substituted one or more times by Rc, or 4-pyridyl independently substituted one or more times by Rd; which are generally interacting with MALT1 proteolytic and/or autoproteolytic activity, and in particular which may inhibit said activity. The present invention further describes the synthesis of said new pyrazolo-pyrimidine derivatives, their use as a medicament, especially by interacting with MALT1 proteolytic and/or autoproteolytic activity.

  本发明描述了新的吡唑基嘧啶衍生物（I）或其药学上可接受的盐；（I）其中，R1是卤素、氰基或由卤素取代的C1-C3烷基；R2是C1-C6烷基，可选地由C1-C6烷基、C2-C6烯基、羟基、N,N-二C1-C6烷基氨基、N-单C1-C6烷基氨基、O-Rg、Rg、苯基或由C1-C6烷氧基取代的C1-C6烷基取代一次或多次，其中该烷氧基再次可选地由C1-C6烷氧基、N,N-二C1-C6烷基氨基、Rg或苯基取代；C3-C6环烷基，可选地由C1-C6烷基、N,N-二C1-C6烷基氨基或C1-C6烷氧基-C1-C6烷基取代，和/或两个可选取代基与它们连接的原子一起可以形成1-2个氧原子的环化或螺环4-6成员饱和杂环环，包括苯基，可选地由C1-C6烷氧基取代；具有1至3个异原子（N和O）的5-6成员杂环环，该环可选地由C1-C6烷基取代，该烷基可选地由氨基或羟基取代；Rg；或N,N-二C1-C6烷基氨基羰基；R独立地由Ra取代两次或两次以上，独立地由Rb取代一次或多次的2-吡啶基，独立地由Rc取代一次或多次的3-吡啶基，或独立地由Rd取代一次或多次的4-吡啶基；这些基本上与MALT1蛋白酶和/或自体蛋白酶活性相互作用，特别是可能抑制该活性。本发明进一步描述了所述新的吡唑基嘧啶衍生物的合成，它们作为药物的用途，特别是通过与MALT1蛋白酶和/或自体蛋白酶活性相互作用。
• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20210332045A1

  公开（公告）日：2021-10-28

  Provided is a compound that can have an effect of inhibiting MALT1 and is expected as useful as a prophylactic or therapeutic drug for cancer, etc. A compound represented by formula (I) [wherein each symbol is as defined in the description], a salt thereof, or a cocrystal, a hydrate or a solvate of the same.

  提供了一种化合物，可以抑制MALT1，并且预计作为预防或治疗癌症等疾病的药物是有用的。化合物由式(I)表示[其中每个符号如描述中所定义]，其盐，或其共晶体，水合物或溶剂化合物。
• Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity
  申请人：Gnamm Christian

  公开号：US09115093B2

  公开（公告）日：2015-08-25

  This invention relates to substituted bicyclic dihydropyrimidinones of formula 1 and their use as inhibitors of neutrophil elastase activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of pulmonary, gastrointestinal and genitourinary diseases, inflammatory diseases of the skin and the eye and other autoimmune and allergic disorders, allograft rejection, and oncological diseases.

  本发明涉及式1的取代双环脱氢嘧啶酮及其作为中性粒细胞弹性蛋白酶活性抑制剂的用途，含有该化合物的药物组合物，以及将其作为治疗和/或预防肺部、胃肠和泌尿系统疾病、皮肤和眼睛的炎症性疾病、其他自身免疫和过敏性疾病、移植物排斥和肿瘤性疾病的药剂的方法。
• Heterocyclic compound
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US11230545B2

  公开（公告）日：2022-01-25

  Provided is a compound that can have an effect of inhibiting MALT1 and is expected as useful as a prophylactic or therapeutic drug for cancer, etc. A compound represented by formula (I) [wherein each symbol is as defined in the description], a salt thereof, or a cocrystal, a hydrate or a solvate of the same.

  本发明提供了一种化合物，该化合物具有抑制 MALT1 的效果，有望用作癌症等的预防或治疗药物。一种由式（I）[其中各符号如描述中所定义]代表的化合物、其盐或其共晶体、水合物或溶液。