1-[3-(三氟甲基)苯基]甲磺酰胺 | 919353-96-1

• 物质功能分类: 有机原料 - 氨基化合物 - 酰胺类化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-[3-(三氟甲基)苯基]甲磺酰胺
• 英文名称: (3-(trifluoromethyl)phenyl)methanesulfonamide
• 英文别名: 1-[3-(trifluoromethyl)phenyl]methanesulfonamide；3-(Trifluoromethyl)benzylsulfonamide；[3-(trifluoromethyl)phenyl]methanesulfonamide
• CAS: 919353-96-1
• 化学式: C₈H₈F₃NO₂S
• 分子量: 239.218
• InChiKey: NWOBOMTYILDKKX-UHFFFAOYSA-N

物化性质

• 密度：
  1.458

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  1-[3-cyano-5-(ethoxycarbonyl)-6-methylpyridine-2-yl]azetidine-3-carboxylic acid 、 1-[3-(三氟甲基)苯基]甲磺酰胺 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以39%的产率得到ethyl 5-cyano-2-methyl-6-(3-{[[3-(trifluoromethyl)benzyl]sulfonyl]carbamoyl}azetidin-1-yl)nicotinate
  参考文献：
  名称：

  Lead Optimization of Ethyl 6-Aminonicotinate Acyl Sulfonamides as Antagonists of the P2Y₁₂ Receptor. Separation of the Antithrombotic Effect and Bleeding for Candidate Drug AZD1283

  摘要：

  Synthesis and structure-activity relationships of ethyl 6-aminonicotinate acyl sulfonamides, which are potent antagonists of the P2Y(12) receptor, are presented. Shifting from 5-chlorothienyl to benzyl sulfonamides significantly increased the potency in the residual platelet count assay. Evaluation of PK parameters in vivo in dog for six compounds showed a 10-fold higher clearance for the azetidines than for the matched-pair piperidines. In a modified Folts model in dog, both piperidine 3 and azetidine 13 dose-dependently induced increases in blood flow and inhibition of ADP-induced platelet aggregation with antithrombotic ED50 values of 3.0 and 10 mu g/kg/min, respectively. The doses that induced a larger than 3-fold increase in bleeding time were 33 and 100 mu g/kg/min for 3 and 13, respectively. Thus, the therapeutic index (TI) was >= 10 for both compounds. On the basis of these data, compound 3 was progressed into human clinical trials as candidate drug AZD1283.

  DOI：

  10.1021/jm400820m

文献信息

• [EN] 2-OXO-3,4-DIHYDROQUINOLINE COMPOUNDS AS PLANT GROWTH REGULATORS<br/>[FR] COMPOSÉS 2-OXO-3,4-DIHYDROQUINOLÉINE À UTILISER EN TANT QUE RÉGULATEURS DE CROISSANCE DES PLANTES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2016128317A1

  公开（公告）日：2016-08-18

  The present invention relates to novel sulfonamide derivatives of formula (I), to processes and intermediates for preparing them, to plant growth regulator compositions comprising them and to methods of using them for controlling the growth of plants, improving plant tolerance to abiotic stress (including environmental and chemical stresses), inhibiting seed germination and/or safening a plant against phytotoxic effects of chemicals.

  本发明涉及公式(I)的新型磺胺衍生物，以及制备它们的过程和中间体，包括植物生长调节剂组合物和使用它们控制植物生长、提高植物对非生物胁迫（包括环境和化学胁迫）的耐受性、抑制种子萌发和/或保护植物免受化学物质的毒害作用的方法。
• Pyridine Analogues
  申请人：Andersen Soren

  公开号：US20080312208A1

  公开（公告）日：2008-12-18

  The present invention relates to certain new pyridin analogues of Formula (I) Chemical formula should be inserted here. Please see paper copy Formula (I) to processes for preparing such compounds, to their utility as P2Y 12 inhibitors and as anti-thrombotic agents etc, their use as medicaments in cardiovascular diseases as well as pharmaceutical compositions containing them.

  本发明涉及某些新的Formula (I)式吡啶类似物，化学式应在此处插入。请参见纸质副本Formula (I)，以及制备这些化合物的过程，它们作为P2Y12抑制剂和抗血栓剂等的效用，它们在心血管疾病中作为药物的用途以及含有它们的制药组合物。
• Polymers containing grafted bis(sulfonyl)imide sodium or lithium salts, methods for production thereof and uses of same as electrolytes for batteries
  申请人：CDP INNOVATION

  公开号：US10141603B2

  公开（公告）日：2018-11-27

  The invention relates to novel polymers containing grafted sodium or lithium bis(sulfonyl)imides, to the methods for the production thereof, and to the uses of same as electrolytes in batteries.

  本发明涉及含有接枝钠或锂双(磺酰基)亚胺的新型聚合物、其生产方法以及用作电池电解质的用途。
• 2-oxo-3,4-dihydroquinoline compounds as plant growth regulators
  申请人：Syngenta Participations AG

  公开号：US10392348B2

  公开（公告）日：2019-08-27

  The present invention relates to novel sulfonamide derivatives of formula (I), to processes and intermediates for preparing them, to plant growth regulator compositions comprising them and to methods of using them for controlling the growth of plants, improving plant tolerance to abiotic stress (including environmental and chemical stresses), inhibiting seed germination and/or safening a plant against phytotoxic effects of chemicals.

  本发明涉及式（I）的新型磺酰胺衍生物、制备它们的工艺和中间体、包含它们的植物生长调节剂组合物，以及使用它们控制植物生长、提高植物对非生物胁迫（包括环境和化学胁迫）的耐受性、抑制种子萌发和/或使植物免受化学品植物毒性影响的方法。
• Azole amides and amines as alpha v integrin inhibitors
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US10851098B2

  公开（公告）日：2020-12-01

  The present invention provides compounds of Formula (I): (Formula (I)), or stereoisomers, tautomers, or pharmaceutically acceptable salts or solvates thereof, wherein all the variables are as defined herein. These compounds are inhibitors to αv-containing integrins. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with dysregulation of αv-containing integrins, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

  本发明提供了式 (I) 的化合物： 式（I））或其立体异构体、同系物或药学上可接受的盐或溶液，其中所有变量如本文所定义。 这些化合物是含αv整合素的抑制剂。 本发明还涉及包含这些化合物的药物组合物，以及通过使用这些化合物和药物组合物治疗与含αv整合素失调相关的疾病、紊乱或病症的方法，如病理性纤维化、移植排斥、癌症、骨质疏松症和炎症性疾病。