4-chloro-N-[(4-methylphenyl)methylidene]benzene-1-sulfonamide | 951762-72-4

• 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-chloro-N-[(4-methylphenyl)methylidene]benzene-1-sulfonamide
• 英文别名: (NE)-4-chloro-N-[(4-methylphenyl)methylidene]benzenesulfonamide
• CAS: 951762-72-4
• 化学式: C₁₄H₁₂ClNO₂S
• 分子量: 293.774
• InChiKey: NTXDXEGIZZZWEN-MHWRWJLKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  54.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-<(dimethylamino)methylene>amino-1,3-dimethyluracil 、 4-chloro-N-[(4-methylphenyl)methylidene]benzene-1-sulfonamide 反应 0.08h， 以95%的产率得到6-(4-chlorophenyl)sulfonyl-1,3-dimethyl-5-(4-methylphenyl)-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
  参考文献：
  名称：

  无溶剂条件下新型嘧啶并[4,5-d]嘧啶和吡啶并[2,3-d]嘧啶的简便微波诱导一锅法合成

  摘要：

  富电子 6-[(二甲氨基) 亚甲基]氨基尿嘧啶 1，与各种缺电子底物发生 [4+2] 环加成反应，在消除后得到嘧啶并 [4,5-d] 嘧啶和吡啶并 [2,3-d] 嘧啶来自 (1:1) 环加合物和氧化芳构化的二甲胺。当在无溶剂条件下在微波辐射下进行时，该反应产生优异的产率。

  DOI：

  10.1055/s-2004-825601
• 作为产物：
  描述：

  苯磺酰胺 、 对甲基苯甲醛 在 三氟化硼乙醚 作用下， 生成 4-chloro-N-[(4-methylphenyl)methylidene]benzene-1-sulfonamide
  参考文献：
  名称：

  Small-Molecule Inhibitors of Protein Geranylgeranyltransferase Type I

  摘要：

  Small molecules that inhibit the geranylgeranylation of K-Ras4B and RhoA by protein geranylgeranyltransferase type I (GGTase-I) were identified from chemical genetic screens of heterocycles synthesized through phosphine catalysis of allenes. To further improve the efficacy of the GGTase-I inhibitors (GGTIs), 4288 related compounds bearing core dihydropyrrole/pyrrolidine and tetrahydropyridine/piperidine scaffolds were synthesized on SynPhase lanterns in a split-pool manner through phosphine-catalyzed [3 + 2] and [4 + 2] annulations of resin-bound allenoates. Testing of the 4288 analogues resulted in several GGTIs exhibiting submicromolar IC50 values. Because proteins such as Ras and Rho GTPases are implicated in oncogenesis and metastasis, these GGTIs might ultimately lead to the development of novel antitumor therapeutics.

  DOI：

  10.1021/ja070274n

文献信息

• SMALL MOLECULES FOR ENDOTHELIAL CELL ACTIVATION
  申请人：The Regents of the University of California

  公开号：EP2963039A1

  公开（公告）日：2016-01-06

  The present invention provides small molecules for endothelial cell activation and compositions thereof and methods of making and using the same

  本发明提供了用于内皮细胞活化的小分子及其组合物，以及制备和使用这些小分子的方法。
• Small molecules for endothelial cell activation
  申请人：Cruz Daniel

  公开号：US10197557B2

  公开（公告）日：2019-02-05

  The present invention provides small molecules for endothelial cell activation and compositions thereof and methods of making and using the same.

  本发明提供了用于内皮细胞活化的小分子及其组合物以及制造和使用方法。
• INHIBITORS OF PROTEIN PRENYLTRANSFERASES
  申请人：Tamanoi Fuyuhiko

  公开号：US20100063114A1

  公开（公告）日：2010-03-11

  The present invention is directed to novel compounds. These compounds can be useful in inhibiting the activity of GGTase I. The compounds can also be used as anti-cancer therapeutics including as part of methods for treating cancer, in assays, and in kits.
• Small Molecules For Endothelial Cell Activation
  申请人：Cruz Daniel

  公开号：US20130310417A1

  公开（公告）日：2013-11-21

  The present invention provides small molecules for endothelial cell activation and compositions thereof and methods of making and using the same.
• US8093274B2
  申请人：——

  公开号：US8093274B2

  公开（公告）日：2012-01-10