2-肼基-4-(三氟甲基)嘧啶-5-羧酸乙酯 | 188936-10-9

• 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: 2-肼基-4-(三氟甲基)嘧啶-5-羧酸乙酯
• 英文名称: ethyl 2-hydrazino-4-trifluoromethylpyrimidine-5-carboxylate
• 英文别名: Ethyl 2-hydrazino-4-(trifluoromethyl)pyrimidine-5-carboxylate；ethyl 2-hydrazinyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
• CAS: 188936-10-9
• 化学式: C₈H₉F₃N₄O₂
• 分子量: 250.18
• InChiKey: AACBTFTUFBNVJJ-UHFFFAOYSA-N

物化性质

• 沸点：
  283.3±50.0 °C(Predicted)
• 密度：
  1.55±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  90.1
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-肼基-4-(三氟甲基)嘧啶-5-羧酸乙酯 在 sodium hydride 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 3.0h， 生成 2-[Methyl-(3-methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-yl)-amino]-4-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Structure–Activity Relationship Studies of Ethyl 2-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate: An Inhibitor of AP-1 and NF-κB Mediated Gene Expression

  摘要：

  Several analogues of ethyl 2-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested as inhibitors of AP-1 and NF-kappaB mediated transcriptional activation in Jurkat T cells. From our SAR work, ethyl 2-[(3-methyl-2,5-dioxo(3-pyrrolinyl))-N-methylamino]-4-(trifluoromethyl)-pyrimidine-5-carboxylate was identified as a novel and potent inhibitor. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00517-6
• 作为产物：
  描述：

  2-羟基-4-三氟甲基嘧啶-5-羧酸乙酯 在 肼 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 3.08h， 生成 2-肼基-4-(三氟甲基)嘧啶-5-羧酸乙酯
  参考文献：
  名称：

  Structure–Activity Relationship Studies of Ethyl 2-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate: An Inhibitor of AP-1 and NF-κB Mediated Gene Expression

  摘要：

  Several analogues of ethyl 2-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested as inhibitors of AP-1 and NF-kappaB mediated transcriptional activation in Jurkat T cells. From our SAR work, ethyl 2-[(3-methyl-2,5-dioxo(3-pyrrolinyl))-N-methylamino]-4-(trifluoromethyl)-pyrimidine-5-carboxylate was identified as a novel and potent inhibitor. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00517-6

文献信息

• Pyrimidine carboxylates and related compounds and methods for treating
  申请人：Signal Pharmaceuticals, Inc.

  公开号：US05935966A1

  公开（公告）日：1999-08-10

  Compounds having utility as anti-inflammatory agents in general and, more specifically, for the prevention and/or treatment of immunoinflammatory and autoimmune diseases are disclosed. The compounds are pyrimidine-containing compounds and, in one embodiment, are esters of the same. Methods are also disclosed for preventing and/or treating inflammatory conditions by administering to an animal in need thereof an effective amount of a compound of this invention, preferably in the form of a pharmaceutical composition.

  本文披露了作为抗炎药物的效用的化合物，特别是用于预防和/或治疗免疫炎症和自身免疫疾病的化合物。这些化合物是含嘧啶的化合物，在一个实施例中，它们是相同的酯。还披露了通过向需要的动物施用本发明的化合物的有效量，优选地以药物组合物的形式，来预防和/或治疗炎症病症的方法。
• AZO METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM
  申请人：Mitsubishi Kagaku Media Co., Ltd.

  公开号：EP2085430A1

  公开（公告）日：2009-08-05

  The invention provides an azo metal chelate dye suitable for use in a recording layer of an optical recording medium capable of high-speed recording or an optical recording medium having plural recording layers, and an optical recording medium. The azo metal chelate dye comprises an azo dye compound represented by general formula (1) and a metal: (wherein R1 represents a linear or branched alkyl group that may be substituted or a cycloalkyl group that may be substituted; R2 and R3 each independently represents a hydrogen atom, a linear or branched alkyl group that may be substituted, an aryl group that may be substituted, or a heterocyclic group that may be substituted; R4, R5, R6, R7, and R8 each independently represents a hydrogen atom or a linear or branched alky group that may be substituted, and R4 and R5, R4 and R6, or R5 and R7 may be bonded to each other to form a ring; Y represents a linear or branched alkyl group substituted with at least two fluorine atoms; and the chelate dye is constituted of the compound represented by general formula (1) from which a proton is released, and the metal).

  本发明提供了一种适用于高速记录或具有多个记录层的光记录介质的记录层中使用的偶氮金属螯合染料以及光记录介质。该偶氮金属螯合染料包括由通式（1）表示的偶氮染料化合物和金属：（其中R1表示可被取代的线性或支链烷基或可被取代的环烷基；R2和R3各自独立地表示氢原子、可被取代的线性或支链烷基、可被取代的芳基或可被取代的杂环基；R4、R5、R6、R7和R8各自独立地表示氢原子或可被取代的线性或支链烷基，且R4和R5、R4和R6或R5和R7可以相互结合形成环；Y表示至少带有两个氟原子的线性或支链烷基；螯合染料由通式（1）表示的从中释放质子的化合物和金属构成）。
• [EN] PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS<br/>[FR] CARBOXYLATES DE PYRIMIDINE ET COMPOSES APPARENTES ET PROCEDES POUR LE TRAITEMENT D'ETATS INFLAMMATOIRES
  申请人：SIGNAL PHARMACEUTICALS, INC.

  公开号：WO1998038171A1

  公开（公告）日：1998-09-03

  (EN) Compounds having utility as anti-inflammatory agents in general and, more specifically, for the prevention and/or treatment of immunoinflammatory and autoimmune diseases are disclosed. The compounds are pyrimidine-containing compounds and, in one embodiment, are esters of the same. Methods are also disclosed for preventing and/or treating inflammatory conditions by administering to an animal in need thereof an effective amount of a compound of this invention, preferably in the form of a pharmaceutical composition. (FR) Cette invention se rapporte à des composés utiles comme agents anti-inflammatoires en général et, plus particulièrement, pour la prévention et/ou le traitement de maladies immuno-inflammatoires et auto-immunes. Ces composés sont des composés contenant des pyrinidines et, dans un mode de réalisation, ce sont des esters de ces mêmes composés. Cette invention présente des procédés permettant de prévenir et/ou de traiter des états inflammatoires en administrant à un animal nécessitant un tel traitement une quantité efficace d'un composé de cette invention, de préférence sous la forme d'une composition pharmaceutique.

  具有抗炎作用的化合物，一般用于预防和/或治疗免疫炎症和自身免疫性疾病。这些化合物是含有嘧啶的化合物，其中一种实施方式是它们的酯类。该发明还揭示了通过向需要治疗的动物中投与本发明化合物的有效量，特别是以药物组成的形式，来预防和/或治疗炎症状况的方法。
• [EN] PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS<br/>[FR] CARBOXYLATES DE PYRIMIDINE, COMPOSES CONNEXES ET METHODES DE TRAITEMENT DES ETATS INFLAMMATOIRES
  申请人：SIGNAL PHARMACEUTICALS, INC.

  公开号：WO1997009325A1

  公开（公告）日：1997-03-13

  (EN) Compounds having utility as anti-inflammatory agents in general and, more specifically, for the prevention and/or treatment of immuno-inflammatory and autoimmune diseases are disclosed. The compounds are pyrimidine-containing compounds and, in one embodiment, are esters of the same. Methods are also disclosed for preventing and/or treating inflammatory conditions by administering to an animal in need thereof an effective amount of a compound of this invention, preferably in the form of a pharmaceutical composition.(FR) Composés s'avérant utiles comme agents anti-inflammatoires d'une manière générale et, plus spécifiquement, pour la prévention et/ou le traitement des maladies immuno-inflammatoires et auto-immunes. Ces composés sont des composés contenant de la pyrimidine et, dans un mode de réalisation, sont des esters de celle-ci. L'invention porte également sur des méthodes de prévention et/ou de traitement des états inflammatoires par administration à un animal en ayant besoin d'une dose efficace d'un composé de cette invention, de préférence sous forme d'une composition pharmaceutique.

  (中)本发明揭示了作为抗炎剂的化合物，通常用于预防和/或治疗免疫炎症和自身免疫性疾病。这些化合物是含有嘧啶的化合物，在一种实施方式中，是其酯类。本发明还揭示了通过向需要的动物施用本发明的化合物的有效量，特别是以药物组合物的形式，来预防和/或治疗炎症状况的方法。
• US5852028A
  申请人：——

  公开号：US5852028A

  公开（公告）日：1998-12-22