4-Cyano-2-methylbenzamide | 1261673-82-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Cyano-2-methylbenzamide
• CAS: 1261673-82-8
• 化学式: C₉H₈N₂O
• 分子量: 160.17
• InChiKey: CEBPBELRNHBPSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  66.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Cyano-2-methylbenzamide 、 6-chloro-4-(trifluoromethyl)nicotinaldehyde 在 sodium cyanoborohydride 、 caesium carbonate 、 溶剂黄146 、 N-(1-((1-(tert-butyl)-1H-tetrazol-5-yl)methyl)piperidin-4-yl)cyclohexanecarboxamide 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 17.0h， 生成 4-cyano-N-[5-(hydroxymethyl)-4-(trifluoromethyl)pyridin-2-yl]-2-methylbenzamide
  参考文献：
  名称：

  SUBSTITUTED (HETERO)ANILINES AND THEIR USE

  摘要：

  The present disclosure relates to substituted anilines and heteroanilines and their use as TRPV4 antagonists. In some embodiments, the disclosure provides a compound of Formula (I): (I), or a pharmaceutically acceptable salt thereof, wherein ring A, R groups, X, Y, Z, m, p, q, and s are defined herein.

  公开号：

  WO2024149728A1

文献信息

• ANTIPARASITIC AGENTS
  申请人：Comlay Stuart Nicholas

  公开号：US20080194694A1

  公开（公告）日：2008-08-14

  The present invention relates to compounds of the formula (I) or a tautomer or prodrug thereof, or a pharmaceutically acceptable salt of said compound, tautomer or prodrug, wherein: R 1 , R 2 , R 3 , R 4 and R 5 are each independently selected from H, halo, CN, CF 3 and CONH 2 ; compositions containing such compounds and the uses of such compounds as antiparasitic agents.

  本发明涉及具有以下结构式（I）的化合物，或其互变异构体或前药，或该化合物、互变异构体或前药的药用盐，其中：R1、R2、R3、R4和R5分别独立选择自H、卤、CN、CF3和CONH2；含有这种化合物的组合物以及这种化合物作为抗寄生虫剂的用途。
• [EN] NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY<br/>[FR] H-TÉTRAZINES MARQUÉES PAR UN NUCLÉIDE ET LEUR UTILISATION POUR L'IMAGERIE ET LA THÉRAPIE DE RADIONUCLÉIDES PET ET SPECT PRÉCIBLÉS
  申请人：RIGSHOSPITALET

  公开号：WO2021228992A1

  公开（公告）日：2021-11-18

  The present invention relates to novel tetrazine compounds for use in pretargeted in vivo imaging and in therapy and to the precursors of the tetrazine compounds. The compounds are suitable for use in click chemistry, i.e. reactions that join a targeting molecule and a reporter molecule. The compounds comprise a radionuclide of F, I or At and on or more polar groups providing that the compounds can efficiently react with extracellularly located pretargeting vectors and as such used for example for pretargeted cancer diagnostics and cancer therapy.

  本发明涉及用于体内预靶向成像和疗法的新型四氮唑化合物以及四氮唑化合物的前体。这些化合物适用于点击化学，即连接靶向分子和报告分子的反应。这些化合物包括F、I或At的放射性核素，以及一个或多个极性基团，从而使得这些化合物能够有效地与细胞外定位的预靶向载体发生反应，例如用于预靶向癌症诊断和癌症治疗。
• INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T))
  申请人：GALDERMA RESEARCH & DEVELOPMENT

  公开号：US20170342062A1

  公开（公告）日：2017-11-30

  Indazole sulfonamide derivatives of formula (I), the pharmaceutically acceptable addition salts thereof, the hydrates and/or solvates thereof, and the use of same as inverse agonists of retinoid-related orphan receptor gamma RORγt are described. Pharmaceutical compositions including such compounds, as well as the use thereof for the topical and/or oral treatment of RORγt receptor-mediated inflammatory diseases, in particular acne, psoriasis and/or atopic dermatitis are also described.

  本发明涉及式(I)的吲唑磺胺衍生物，其药学上可接受的加盐物，其水合物和/或溶剂合物，以及将其用作视黄醇相关孤儿受体伽玛RORγt的逆向激动剂的用途。还描述了包括这些化合物的药物组合物，以及将其用于治疗RORγt受体介导的炎症性疾病，特别是痤疮、银屑病和/或特应性皮炎的局部和/或口服治疗。
• [EN] SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AS FUNGICIDES<br/>[FR] COMPOSÉS DE [1,2,4]TRIAZOLE SUBSTITUÉS UTILISÉS EN TANT QUE FONGICIDES
  申请人：BASF SE

  公开号：WO2021249800A1

  公开（公告）日：2021-12-16

  The present invention relates to substituted [1,2,4]triazole compounds of formula I and the N-oxides and the salts thereof, to the use of said compounds and methods for combating phytopathogenic fungi and to seeds coated with at least one such compound. The invention also relates to processes for preparing these compounds and to compositions comprising at least one compound I.

  本发明涉及公式I的取代[1,2,4]三唑化合物及其N-氧化物和盐，以及所述化合物的使用方法和用于 bekämpfung 植物病原真菌的方法，以及至少涂覆有一种该化合物的种子。本发明还涉及制备这些化合物的方法和包含至少一种化合物I的组合物。
• [EN] SPIROCYCLIC DERIVATIVES<br/>[FR] DÉRIVÉS SPIROCYCLIQUES
  申请人：BASF SE

  公开号：WO2018162312A1

  公开（公告）日：2018-09-13

  The present invention relates to novel spiro compounds of formula I, wherein the variables have the meanings as defined in the specification, to compositions comprising them, to active compound combinations comprising them, and to their use for protecting growing plants from attack or infestation by invertebrate pests, furthermore, to seed comprising such compounds.

  本发明涉及式I的新颖螺环化合物，其中变量的含义如规范中所定义，以及包含它们的组合物，包括活性化合物组合物，以及它们用于保护生长中的植物免受无脊椎动物害虫攻击或侵染的用途，此外还涉及包含这些化合物的种子。