4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid | 1623156-88-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
• 英文别名: 4-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
• CAS: 1623156-88-6
• 化学式: C₆H₅F₃N₂O₂
• mdl: MFCD26938281
• 分子量: 194.113
• InChiKey: WCXHNTHRQUBIRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  66
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  methyl 4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以94%的产率得到4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
  参考文献：
  名称：

  从缺电子烯烃/炔烃和原位生成的 CF3CHN2 一锅法合成 CF3 取代的吡唑啉/吡唑：三（三氟甲基）吡唑的优化合成

  摘要：

  原位生成的 CF3CHN2 与缺电子烯烃/炔烃的 [3+2] 环加成以定量产率提供 CF3 取代的吡唑啉/吡唑。CF3CH2NH2·HCl、NaNO2和底物之间的一锅三组分反应在室温下在二氯甲烷/水中进行。

  DOI：

  10.1002/ejoc.201301852

文献信息

• LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY
  申请人：Graffinity Pharmaceuticals GmbH

  公开号：EP2601208A2

  公开（公告）日：2013-06-12
• HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：EP3016934A2

  公开（公告）日：2016-05-11
• [EN] LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY<br/>[FR] LIGANDS POUR LA PURIFICATION D'ANTICORPS ET DE PROTÉINE DE FUSION À FC PAR CHROMATOGRAPHIE D'AFFINITÉ
  申请人：GRAFFINITY PHARMACEUTICALS GMBH

  公开号：WO2012017021A2

  公开（公告）日：2012-02-09

  The present invention relates to the use for affinity purification of an antibody or an fragment of an antibody, of a ligand-substituted matrix comprising a support material and at least one ligand covalently bonded to the support material, the ligand being represented by formula (I) wherein Sp is a spacer group; v is 0 or 1; Am is an amide group -NR1-C(O)-, and wherein either NR1 is attached to Ar1 and C(O)- is attached to Ar2, or -C(O)- is attached to Ar1 and NR1 is attached to Ar2; and R1 is hydrogen or C1 to C4 alkyl, preferably hydrogen or methyl; and more preferably hydrogen; Ar1 is a divalent 5- or 6-membered substituted or unsubstituted aromatic ring; Ar2 is 5- or 6-membered heterocyclic aromatic ring which is (a) attached to a further 5- or 6-membered aromatic ring via a single bond; or (b) fused to a further 5- or 6-membered aromatic ring as part of a multicyclic ring system; or (c) attached to at least one substituent selected from C1 to C4 alkyl; C2 to C4 alkenyl; C2 to C4 alkynyl; a halogen; C1 to C4 haloalkyl; hydroxyl-substituted C1 to C4 alkyl; C1 to C4 alkoxy; hydroxyl-substituted C1 to C4 alkoxy; C1 to C4 alkylamino; C1 to C4 alkylthio; and combinations thereof.
• [EN] HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME<br/>[FR] COMPOSÉS HÉTÉROARYLIQUES POUVANT ÊTRE UTILISÉS EN TANT QU'INHIBITEURS DE L'ENZYME SAE
  申请人：MILLENNIUM PHARM INC

  公开号：WO2015002994A2

  公开（公告）日：2015-01-08

  Disclosed are compounds of formula (I): or a pharmaceutically acceptable salt thereof; wherein Y, Ra, Ra', Rc, Rf, X2, Rd, Rd', Re, Re', m, and G have the values described herein and stereochemical configurations depicted at asterisked positions indicate absolute stereochemistry, useful as inhibitors of Sumo Activating Enzyme (SAE). Further provided are pharmaceutical compositions comprising a compound of the disclosure and methods of using the compositions in the treatment of proliferative, inflammatory, cardiovascular and neurodegenerative diseases or disorders.