4-Chlor-benzolsulfonsaeure-<4-chlor-benzoylamid> | 14068-02-1

• 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-Chlor-benzolsulfonsaeure-<4-chlor-benzoylamid>
• 英文别名: N-(p-Chlorbenzolsulfonyl)-p-chlorbenzamid；N-4'-chlorobenzoyl-4-chlorobenzene sulfonamide；4-Chloro-N-[(4-chlorophenyl)sulfonyl]benzamide；4-chloro-N-(4-chlorophenyl)sulfonylbenzamide
• CAS: 14068-02-1
• 化学式: C₁₃H₉Cl₂NO₃S
• 分子量: 330.191
• InChiKey: IZIJDUMIQKCMGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氯苯磺酰胺 、 对氯苯甲酸 在 4-二甲氨基吡啶 、 N'-methyl polystyrene HL 、 N-cyclohexylcarbodiimide 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以49%的产率得到4-Chlor-benzolsulfonsaeure-<4-chlor-benzoylamid>
  参考文献：
  名称：

  Acyl Sulfonamide Anti-Proliferatives:  Benzene Substituent Structure−Activity Relationships for a Novel Class of Antitumor Agents

  摘要：

  Two closely related diaryl acylsulfonamides were recently reported as potent antitumor agents against a broad spectrum of human tumor xenografts (colon, lung, breast, ovary, and prostate) in nude mice. Especially intriguing was their activity against colorectal cancer xenografts. In this paper, rapid parallel synthesis along with traditional medicinal chemistry techniques were used to quickly delineate the structure-activity relationships of the substitution patterns in both phenyl rings of the acylsufonamide anti-proliferative scaffold. Although the molecular target of the compounds remains unclear, we determined that the vascular endothelial growth factor-dependent human umbilical vein endothelial cells assay in combination with a soft agar disk diffusion assay allowed for optimization of potency in the series. The pharmacokinetic properties and in vivo activity in an HCT116 xenograft model are reported for representative compounds.

  DOI：

  10.1021/jm030594r

文献信息

• N-Acylsulfonamide herbicidal antidotes
  申请人：Stauffer Chemical Company

  公开号：US04266078A1

  公开（公告）日：1981-05-05

  Described herein are herbicidal compositions comprised of a thiocarbamate or haloacetanilide herbicide and an antidotally effective amount of an N-acylsulfonamide compound corresponding to the formula ##STR1## in which R is selected from the group consisting of hydrogen, methyl, chloro, acetamido, and 1-4 carbon alkoxyamido; R.sub.1 is selected from the group consisting of hydrogen, allyl, and metal ion; R.sub.2 is selected from the group consisting of 1-10 carbon alkyl, 1-4 carbon haloalkyl, 2-4 carbon alkenyl, 2-4 carbon haloalkenyl, acetonyl, 1-6 carbon alkoxy, 1-4 carbon alkoxycarbonyl, 1-4 carbon alkylthioalkyl, alkoxyalkyl, O,O-dialkylphosphorodithioylalkyl, phenyl, halophenyl, halophenylthioalkyl, cyclohexanedione, and dimethyl barbituric acid; or R.sub.1 and R.sub.2 together with the carbonyl group to which R.sub.2 is attached are selected from the group consisting of succinimide, substituted succinimide, phthalimide, and substituted phthalimide.

  本文描述了由硫代氨基甲酸酯或卤代乙酰胺类除草剂和一种与配方式相对应的N-酰基磺酰胺化合物的解毒有效量组成的除草剂组合物，其中R选择自氢、甲基、氯、乙酰胺和1-4碳基烷氧基甲酰胺的群；R1选择自氢、丙烯基和金属离子的群；R2选择自1-10碳基烷基、1-4碳基卤代烷基、2-4碳基烯基、2-4碳基卤代烯基、丙酮基、1-6碳基烷氧基、1-4碳基烷氧羰基、1-4碳基烷硫基烷基、烷氧基烷基、O，O-二烷基膦二硫酰基烷基、苯基、卤代苯基、卤代苯基硫代烷基、环己二酮和二甲基巴比妥酸的群；或R1和R2与R2所连接的羰基一起选择自琥珀酰亚胺、取代的琥珀酰亚胺、邻苯二甲酰亚胺和取代的邻苯二甲酰亚胺的群。
• US4266078A
  申请人：——

  公开号：US4266078A

  公开（公告）日：1981-05-05
• US4347380A
  申请人：——

  公开号：US4347380A

  公开（公告）日：1982-08-31
• US4495365A
  申请人：——

  公开号：US4495365A

  公开（公告）日：1985-01-22