6-bromo-4-(4-chlorobenzenesulphonylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran | 226922-98-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-bromo-4-(4-chlorobenzenesulphonylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran
• 英文别名: 1-(6-Bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(4-chlorophenyl)sulfonylurea
• CAS: 226922-98-1
• 化学式: C₁₈H₁₈BrClN₂O₄S
• 分子量: 473.775
• InChiKey: YLZRVMLGLMZCIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  92.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-bromo-4-(4-chlorobenzenesulphonylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以85%的产率得到
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of some N-arylsulfonyl-N-methyl-N′-(2,2-dimethyl-2H-1-benzopyran-4-yl)ureas structurally related to cromakalim

  摘要：

  Some N-arylsulfonyl-N-methyl-N'-(2,2-dimethyl-2H-1-benzopyran-4-yl)ureas were prepared and evaluated as putative potassium channel openers on the vascular and uterine smooth muscle tissue (myorelaxant effect), as well as on insulin-secreting pancreatic islets (inhibition of insulin release). The pharmacological results indicated that these compounds exhibited a marked biological activity on these three tissues. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.01.009
• 作为产物：
  描述：

  6-溴-2,2-二甲基-4-二氢色原酮 在 盐酸 、 sodium tetrahydroborate 、 硫酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 10.33h， 生成 6-bromo-4-(4-chlorobenzenesulphonylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran
  参考文献：
  名称：

  Synthesis and Pharmacological Evaluation of K<SUB>ATP</SUB>-channel Openers Related to Cromakalim: Introduction of Arylsulphonylurea Moieties

  摘要：

  DOI：

  10.1211/146080899128734587

文献信息

• Synthesis and Pharmacological Evaluation of K&lt;SUB&gt;ATP&lt;/SUB&gt;-channel Openers Related to Cromakalim: Introduction of Arylsulphonylurea Moieties
  作者：S. Khelili、P. Lebrun、J. Delarge、B. Pirotte

  DOI：10.1211/146080899128734587

  日期：1999.3.1
• Synthesis and pharmacological evaluation of some N-arylsulfonyl-N-methyl-N′-(2,2-dimethyl-2H-1-benzopyran-4-yl)ureas structurally related to cromakalim
  作者：Smail Khelili、Philippe Lebrun、Pascal de Tullio、Bernard Pirotte

  DOI：10.1016/j.bmc.2006.01.009

  日期：2006.5

  Some N-arylsulfonyl-N-methyl-N'-(2,2-dimethyl-2H-1-benzopyran-4-yl)ureas were prepared and evaluated as putative potassium channel openers on the vascular and uterine smooth muscle tissue (myorelaxant effect), as well as on insulin-secreting pancreatic islets (inhibition of insulin release). The pharmacological results indicated that these compounds exhibited a marked biological activity on these three tissues. (c) 2006 Elsevier Ltd. All rights reserved.