4-{[5-(三氟甲基)吡啶-2-基]氧基}苯磺酰氯 | 874838-96-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-{[5-(三氟甲基)吡啶-2-基]氧基}苯磺酰氯
• 中文别名: 4-{[5-（三氟甲基）-2-吡啶基]-氧}苯磺酰氯
• 英文名称: 4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzenesulfonyl chloride
• 英文别名: 4-(5-trifluoromethylpyridin-2-oxy)benzenesulfonyl chloride；4-[5-(trifluoromethyl)pyridin-2-yl]oxybenzenesulfonyl chloride
• CAS: 874838-96-7
• 化学式: C₁₂H₇ClF₃NO₃S
• 分子量: 337.707
• InChiKey: XEMAYRPWJCLKBQ-UHFFFAOYSA-N

物化性质

• 熔点：
  51-53℃
• 沸点：
  394.7±42.0 °C(Predicted)
• 密度：
  1.511±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 危险等级：
  8
• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  4-{[5-(三氟甲基)吡啶-2-基]氧基}苯磺酰氯 、 3-甲苯肼 以 二氯甲烷 为溶剂， 反应 1.0h， 以6%的产率得到N'-(3-methylphenyl)-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzenesulfonyl hydrazide
  参考文献：
  名称：

  Discovery and structure–activity relationships of phenyl benzenesulfonylhydrazides as novel indoleamine 2,3-dioxygenase inhibitors

  摘要：

  A novel class of phenyl benzenesulfonylhydrazides has been identified as potent inhibitors of indoleamine 2,3-dioxygenase (IDO), and their structure-activity relationship was explored. Coupling reactions between various benzenesulfonyl chlorides and phenylhydrazides were utilized to synthesize the sulfonylhydrazides bearing various substituents. Compound 3i exhibited 61 nM of IC50 in enzymatic assay and 172 nM of EC50 in the HeLa cell. The computational study of 3i suggested that the major interactions between 3i and IDO protein are the coordination of sulfone and heme iron, the hydrogen bonding and hydrophobic interactions between 3i and IDO. This novel class of IDO inhibitor provides a new direction to discover effective anti-cancer agents. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.05.084

文献信息

• [EN] PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS<br/>[FR] COMPOSÉS PYRIDYLMÉTHYLE SULFONAMIDE
  申请人：BASF SE

  公开号：WO2009071448A1

  公开（公告）日：2009-06-11

  The present invention relates to novel pyridylmethyl-sulfonamide compounds of formula (I) where: n is 0 to 4; m is 0 to 4; R1 is halogen, CN, NO2, OH, SH, C1-C4-alkyl, C1-C4-haloalkyl, C1-C4-alkoxy, C1-C4-haloalkoxy, etc.; and/or two radicals R1 together form a fused ring; R2 is H, C1-C4-alkyl, C1-C4-haloalkyl, C2-C4-alkenyl, C2-C4-alkynyl, C3-C8-cycloalkyl, C1-C4-alkyl-C3-C8-cycloalkyl or benzyl; R3 is halogen, CN, NO2, C1-C4-alkyl, C1-C4-haloalkyl, C1-C4-alkoxy or C1-C4-haloalkoxy; Y is -O-, C1-C4-alkane- diyl, -O-CH2-, -CH2-O-, -C(NOR')-, -S-, -S(=0)-, -Sf=O)2- or -N(R')-; and the N-oxides, and salts thereof and their use for combating phytopathogenic harmful fungi, and also to compositions and seed comprising at least one such compound.

  本发明涉及一种新型吡啶基甲基磺酰胺化合物，其化学式为（I），其中：n为0至4；m为0至4；R1为卤素、CN、NO2、OH、SH、C1-C4-烷基、C1-C4-卤代烷基、C1-C4-烷氧基、C1-C4-卤代烷氧基等；和/或两个基团R1共同形成融合环；R2为H、C1-C4-烷基、C1-C4-卤代烷基、C2-C4-烯基、C2-C4-炔基、C3-C8-环烷基、C1-C4-烷基-C3-C8-环烷基或苄基；R3为卤素、CN、NO2、C1-C4-烷基、C1-C4-卤代烷基、C1-C4-烷氧基或C1-C4-卤代烷氧基；Y为-O-、C1-C4-烷二基、-O-CH2-、-CH2-O-、-C(NOR')-、-S-、-S(=0)-、-S(=O)2-或-N(R')-；以及其N-氧化物、盐及其用途，用于对抗植物病原真菌，以及包含至少一种这种化合物的组合物和种子。
• Pyridylmethyl-Sulfonamide Compounds
  申请人：Grammenos Wassilios

  公开号：US20100249077A1

  公开（公告）日：2010-09-30

  The present invention relates to novel pyridylmethyl-sulfonamide compounds of formula (I) where: n is 0 to 4 ; m is 0 to 4 ; R 1 is halogen, CN, NO 2 , OH, SH, C 1 -C 4 -alkyl, C 1 -C 4 -haloalkyl, C 1 -C 4 -alkoxy, C 1 -C 4 -haloalkoxy, etc.; and/or two radicals R 1 together form a fused ring; R 2 is H, C 1 -C 4 -alkyl, C 1 -C 4 -haloalkyl, C 2 -C 4 -alkenyl, C 2 -C 4 -alkynyl, C 3 -C 8 -cycloalkyl, C 1 -C 4 -alkyl-C 3 -C 8 -cycloalkyl or benzyl; R 3 is halogen, CN, NO 2 , C 1 -C 4 -alkyl, C 1 -C 4 -haloalkyl, C 1 -C 4 -alkoxy or C 1 -C 4 -haloalkoxy; Y is —O—, C 1 -C 4 -alkanediyl, —O—CH 2 —, —CH 2 —O—, —C(NOR n )—, —S—, —S(═O)—, —S(═O) 2 — or —N(R n )—; and the N-oxides, and salts thereof and their use for combating phytopathogenic harmful fungi, and also to compositions and seed comprising at least one such compound.

  本发明涉及一种新型的吡啶基甲基磺酰胺化合物，其化学式为(I)，其中：n为0至4；m为0至4；R1为卤素，CN，NO2，OH，SH，C1-C4烷基，C1-C4卤代烷基，C1-C4烷氧基，C1-C4卤代烷氧基等；或两个基团R1结合形成融合环；R2为H，C1-C4烷基，C1-C4卤代烷基，C2-C4烯基，C2-C4炔基，C3-C8环烷基，C1-C4烷基-C3-C8环烷基或苄基；R3为卤素，CN，NO2，C1-C4烷基，C1-C4卤代烷基，C1-C4烷氧基或C1-C4卤代烷氧基；Y为—O—，C1-C4-烷二基，—O—CH2—，—CH2—O—，—C(NORn)—，—S—，—S(═O)—，—S(═O)2—或—N(Rn)—；以及其氧化物和盐，用于防治植物病原真菌有害物，还包括至少含有一种该化合物的组合物和种子。
• Substituted Sulfonic Acid Amide Compounds
  申请人：Dietz Jochen

  公开号：US20110015065A1

  公开（公告）日：2011-01-20

  The present invention relates to the use of substituted sulfonic acid amide compounds of formula I wherein R a , n, Het, A, Y and D are as defined in the claims and the N-oxides and the salts thereof for combating phytopathogenic harmful fungi, and to compositions and seeds comprising at least one such compound. The invention also relates to novel substituted sulfonic acid amide compounds and processes for preparing these compounds.

  本发明涉及使用公式I中的取代磺酸酰胺化合物，其中Ra，n，Het，A，Y和D如权利要求中所定义的N-氧化物和其盐，用于防治植物病原真菌，以及包含至少一种这样的化合物的组合物和种子。本发明还涉及新的取代磺酸酰胺化合物和制备这些化合物的方法。
• Indoline derivatives and method for using and producing the same
  申请人：ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA

  公开号：US10654802B2

  公开（公告）日：2020-05-19

  The present invention relates to a compound of the formula: where n, R1 and R2 are those defined herein. The present invention also relates to use of a compound of Formula 1 in treating a clinical condition associated with fibrotic disorder.

  本发明涉及式 1 的化合物，其中 n、R1 和 R2 为本文所定义者。本发明还涉及式 1 化合物在治疗与纤维化紊乱有关的临床病症中的用途。
• [EN] SUBSTITUTED SULFONIC ACID AMIDE COMPOUNDS<br/>[FR] COMPOSÉS AMIDES D'ACIDE SULFONIQUE SUBSTITUÉS
  申请人：BASF SE

  公开号：WO2009101082A9

  公开（公告）日：2009-12-10