UNC0379

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Chemical Structure| 1620401-82-2 同义名 : -
CAS号 : 1620401-82-2
货号 : A211708
分子式 : C23H35N5O2
纯度 : 99%+
分子量 : 413.56
MDL号 : MFCD28167817
存储条件：

Pure form Keep in dark place, inert atmosphere, 2-8°C

In solvent -20°C:3-6个月-80°C:12个月
溶解度 :

DMSO: 50 mg/mL(120.9 mM)，配合低频超声助溶，注意：DMSO长时间开封后，会吸水并导致溶解能力下降，请避免使用长期开封的DMSO
生物活性
靶点

  • Histone Methyltransferase

    SETD8, IC50:7.9 μM
描述 UNC0379 is the first substrate-competitive inhibitor of SETD8 with IC50 value of 7.3μM, selective for SETD8 over 15 other methyltransferases[4].
作用机制 UNC0379 is a substrate-competitive SETD8 inhibitor. The quinazoline rings of the compound fill the space that in the SETD8-SAH complex is occupied by the amino group of the substrate lysine side chain.[3]
实验方案
1mg 5mg 10mg

1 mM

5 mM

10 mM

2.42mL

0.48mL

0.24mL

12.09mL

2.42mL

1.21mL

24.18mL

4.84mL

2.42mL
参考文献

[1]Ma A, Yu W, et al. Discovery of a selective, substrate-competitive inhibitor of the lysine methyltransferase SETD8. J Med Chem. 2014 Aug 14;57(15):6822-33.

[2]Butler KV, Ma A, et al. Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase. J Med Chem. 2016 Nov 10;59(21):9881-9889. Epub 2016 Nov 2.

[3]Butler KV, Ma A, Yu W, Li F, Tempel W, Babault N, Pittella-Silva F, Shao J, Wang J, Luo M, Vedadi M, Brown PJ, Arrowsmith CH, Jin J. Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase. J Med Chem. 2016 Nov 10;59(21):9881-9889. doi: 10.1021/acs.jmedchem.6b01244. Epub 2016 Nov 2. PMID: 27804297; PMCID: PMC5148670.

[4]Ma A, Yu W, Li F, Bleich RM, Herold JM, Butler KV, Norris JL, Korboukh V, Tripathy A, Janzen WP, Arrowsmith CH, Frye SV, Vedadi M, Brown PJ, Jin J. Discovery of a selective, substrate-competitive inhibitor of the lysine methyltransferase SETD8. J Med Chem. 2014 Aug 14;57(15):6822-33. doi: 10.1021/jm500871s. Epub 2014 Jul 25. PMID: 25032507; PMCID: PMC4136711.