dBET6 is a BET bromodomains depressant with good cellular permeability, and the IC50 value of binding with BRD4 is 14 nM.

 

Brand: BCM

 

Solubility: soluble in DMSO and alcohol. Insoluble in water.

 

GHS: GHS07

 

Isomeric SMILES: CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C  

 

InChIKey: JGQPZPLJOBHHBK-UFXYQILXSA-N  

 

InChI: InChI=1S/C42H45ClN8O7S/c1-23-24(2)59-42-35(23)37(26-13-15-27(43)16-14-26)46-29(38-49-48-25(3)50(38)42)21-33(53)44-19-8-6-4-5-7-9-20-45-34(54)22-58-31-12-10-11-28-36(31)41(57)51(40(28)56)30-17-18-32(52)47-39(30)55/h10-16,29-30H,4-9,17-22H2,1-3H3,(H,44,53)(H,45,54)(H,47,52,55)/t29-,30?/m0/s1

 

Attribute
[Synonym]	dBET6
[CAS No.]	1950634-92-0
[Formula]	C42H45ClN8O7S
[Molecular]	841.37
[MDL No.]	MFCD31692407
[Form]	Solid
[Storage]	Inert atmosphere, 2-8°C
[Chem Name]	2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]acetamide

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