2-(2,6-Dinitro-4-(trifluoromethyl)phenyl)-N-(4-fluorophenyl)hydrazine-1-carbothioamide 2-[2,6-二硝基-4-(三氟甲基)苯基]-N-(4-氟苯基)肼基硫代甲酰胺
CAS 454453-49-7 MFCD54453497
化学结构图
SMILES: O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1
化学属性
| Mol. Weight | 419.31 |
|---|---|
| Appearance | Light yellow solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name Translation | 2-[2,6-二硝基-4-(三氟甲基)苯基]-N-(4-氟苯基)肼基硫代甲酰胺 |
|---|---|
| Chemical Name | 2-(2,6-Dinitro-4-(trifluoromethyl)phenyl)-N-(4-fluorophenyl)hydrazine-1-carbothioamide |
| Formula | C14H9F4N5O4S |
| Synonym | Kobe2602; Kobe 2602; Kobe-2602. |
| IUPAC Name | 2-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide |
| InChIKey | NNPBSITXCGPXJC-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H9F4N5O4S/c15-8-1-3-9(4-2-8)19-13(28)21-20-12-10(22(24)25)5-7(14(16,17)18)6-11(12)23(26)27/h1-6,20H,(H2,19,21,28) |
| Canonical SMILES | FC(C1=CC([N+]([O-])=O)=C(NNC(NC2=CC=C(F)C=C2)=S)C([N+]([O-])=O)=C1)(F)F |
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产品应用
- Kobe2602, is analog of Kobe0065 , is is a potent and selective RAS inhibitor, which exhibit inhibitory activity toward H-Ras GTP-c-Raf-1 binding both in vivo and in vitro. Kobe2602 effectively inhibits both anchorage-dependent and -independent growth and induce apoptosis of H-ras(G12V)-transformed NIH 3T3 cells, which is accompanied by down-regulation of downstream molecules such as MEK/ERK, Akt, and RalA as well as an upstream molecule, Son of sevenless. Moreover, Kobe2602 exhibits antitumor activity on a xenograft of human colon carcinoma SW480 cells carrying the K-ras(G12V) gene by oral administration. Kobe2602 may serve as a scaffold for the development of Ras inhibitors with higher potency and specificity.
相关文献及参考
- [1]. Shima, Fumi, et al. In silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras-effector interaction. Proceedings of the National Academy of Sciences of the United States of America (2013), 110(20), 8182-8187, S8182/1-S8182/10.
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