BRD-K98645985

Category	Human immunodeficiency Virus (HIV)
CAS	1357647-78-9
Description	BRD-K98645985 is a BAF inhibitor that binds ARID1A-specific BAF complexes, prevents nucleosomal positioning, and potently reverses HIV-1 latency, without T cell activation or toxicity.

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Synonyms	BRD K98645985; BRDK98645985; 1-Isopropyl-3-((3S,6S,7R)-7-methoxy-3,6,9-trimethyl-10-oxo-4-(4-(pyridin-2-yl)benzyl)-3,4,5,6,7,8,9,10-octahydro-2H-benzo[k][1,4,9]oxadiazacyclododecin-12-yl)urea
IUPAC Name	1-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[(4-pyridin-2-ylphenyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
Molecular Weight	573.73
Molecular Formula	C33H43N5O4
Canonical SMILES	CC1CN(C(COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(CC1OC)C)C)CC3=CC=C(C=C3)C4=CC=CC=N4
InChI	InChI=1S/C33H43N5O4/c1-22(2)35-33(40)36-27-14-15-30-28(17-27)32(39)37(5)20-31(41-6)23(3)18-38(24(4)21-42-30)19-25-10-12-26(13-11-25)29-9-7-8-16-34-29/h7-17,22-24,31H,18-21H2,1-6H3,(H2,35,36,40)/t23-,24-,31-/m0/s1
InChIKey	DZGZFXRKNSZUSK-MKGJDZFWSA-N
Purity	>98%
Solubility	Soluble in DMSO.
Appearance	Solid Powder
Storage	Store at -20°C
Complexity	850
Exact Mass	573.33150487
In Vitro	BRD-K98645985(30μM; 18 h) treatment showed a 5-fold increase in Bmi1, a 2.6-fold increase in Ring1, and a 3.3-fold decrease in Fgf4. BRD-K98645985 treatment shows concentration-dependent incubation reversal in J-Lat T cell models.
Target	BAF transcriptional repression:2.37 μM (EC50) HIV-1
XLogP3-AA	4.2