Kobe0065 N-(3-氯-4-甲基苯基)-2-[2,6-二硝基-4-(三氟甲基)苯基]肼基硫代甲酰胺

CAS 436133-68-5 MFCD36133685

化学结构图

436133-68-5
SMILES: Cc1ccc(NC(=S)NNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl

化学属性

Mol. Weight449.79
Appearance Solid powder
SolubilitySoluble in DMSO, not in water

别名和识别编码

Chemical NameKobe0065
FormulaC15H11ClF3N5O4S
Synonym Kobe0065; Kobe 0065; Kobe0065.
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2,6-dinitro-4-(trifluoromethyl)phenyl)hydrazinecarbothioamide.
InChIKeyKSJVAYBCXSURMQ-UHFFFAOYSA-N
InChIInChI=1S/C15H11ClF3N5O4S/c1-7-2-3-9(6-10(7)16)20-14(29)22-21-13-11(23(25)26)4-8(15(17,18)19)5-12(13)24(27)28/h2-6,21H,1H3,(H2,20,22,29)
Canonical SMILESFC(C1=CC([N+]([O-])=O)=C(NNC(NC2=CC=C(C)C(Cl)=C2)=S)C([N+]([O-])=O)=C1)(F)F
Chemical Name TranslationN-(3-氯-4-甲基苯基)-2-[2,6-二硝基-4-(三氟甲基)苯基]肼基硫代甲酰胺
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产品应用

  • Kobe0065 is a small-molecule Ras inhibitors that display antitumor activity by blocking the Ras-effector interaction. Kobe0065 binds to Ras-GTP, blocking interactions with Raf kinase. Kobe0065 inhibits anchorage-dependent and -independent growth, blocks MEK/ERK activity and induces apoptosis in H-rasG12V transformed NIH3T3 cells. Kobe0065 also inhibits tumor growth in SW480 colon cancer cell xenografts.

相关文献及参考

  • [2]. Shima F, et al. Discovery of small-molecule Ras inhibitors that display antitumor activity by interfering with Ras·GTP-effector interaction. Enzymes. 2013;34 Pt. B:1-23
  • [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,
  • [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,
  • [2]. Shima F, et al. Discovery of small-molecule Ras inhibitors that display antitumor activity by interfering with Ras·GTP-effector interaction. Enzymes. 2013;34 Pt. B:1-23

安全信息

Storage condition Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

系列性分类


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