D77

Category	Human immunodeficiency Virus (HIV)
CAS	497836-10-9
Description	D77 is anti-HIV-1 inhibitor, which inhibits HIV-1(IIIB) replication (EC50=23.8 μM)

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Synonyms	D77; D 77; D-77; 4-[(5-Bromo-4-{(Z)-[2,4-dioxo-3-(2-oxo-2-phenylethyl)-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzoic acid;
IUPAC Name	4-[[5-bromo-4-[(Z)-(2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzoic acid
Molecular Weight	596.44
Molecular Formula	C28H22BrNO7S
Canonical SMILES	CCOc1cc(c(cc1OCc2ccc(cc2)C(=O)O)Br)/C=C\3/C(=O)N(C(=O)S3)CC(=O)c4ccccc4
InChI	1S/C28H22BrNO7S/c1-2-36-23-12-20(21(29)14-24(23)37-16-17-8-10-19(11-9-17)27(33)34)13-25-26(32)30(28(35)38-25)15-22(31)18-6-4-3-5-7-18/h3-14H,2,15-16H2,1H3,(H,33,34)/b25-13-
InChIKey	UZYMVECXXFVCGS-MXAYSNPKSA-N
Purity	≥98%
Solubility	Soluble in DMSO
Appearance	Solid powder
Application	Anti-HIV-1 inhibitor
Shelf Life	As supplied, 2 years from the QC date provided on the Certificate of Analysis, when stored properly
Storage	Store at -20 °C
Complexity	913
Exact Mass	595.03004
In Vitro	D77 exhibits a highly specific binding affinity to HIV-1 integrase catalytic core domain.D77 induces a dramatic concentration dependent decrease of α-galactosidase activity compared to the D77-untreated cells. D77 reveals a significant inhibition activity against the interaction of IN with IBD.
Target	HIV
XLogP3-AA	5.8