ABBV-744

Category	Human immunodeficiency Virus (HIV)
CAS	2138861-99-9
Description	ABBV-744 is a BDII-selective BET bromodomain inhibitor that inhibits BRD2, BRD3 and BRD4. It is developed for treating AML and cancers.

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Synonyms	N-ethyl-4-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Molecular Weight	491.55
Molecular Formula	C28H30FN3O4
Canonical SMILES	CCNC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4=C(C=C(C=C4C)F)C)C
InChI	InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
InChIKey	OEDSFMUSNZDJFD-UHFFFAOYSA-N
Purity	≥98%
Solubility	In Vitro: DMSO : 100 mg/mL(203.44 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline Solubility: ≥ 2.5 mg/mL ((5.09 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20% SBE-β-CD in saline) Solubility: ≥ 2.5 mg/mL ((5.09 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90% corn oil Solubility: ≥ 2.5 mg/mL ((5.09 mM); Clear solution
Appearance	Solid Powder
Storage	4°C, stored under nitrogen * In solvent : -80°C, 6 months -20°C, 1 month (stored under nitrogen)
Complexity	852
Exact Mass	491.22203461
Target	Epigenetic Reader Domain; HIV
XLogP3-AA	3.9