HIV-IN-5

Category	Human immunodeficiency Virus (HIV)
CAS	2459929-62-3
Description	HIV-IN-5 is an investigational small molecule with potent inhibitory activity against HIV-1, demonstrating an IC50 of 0.16 μM. It targets key components of the HIV lifecycle, such as reverse transcriptase, integrase, or protease, and effectively inhibits HIV DNA-dependent DNA polymerization with an IC50 of 2.18 μM. By binding to the NNRTI binding pocket (NNIBP) on the reverse transcriptase enzyme, HIV-IN-5 disrupts viral replication, reduces viral load, and slows disease progression, making it a promising candidate for inclusion in antiretroviral therapies for managing and treating HIV/AIDS.

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Synonyms	1,3-Benzodioxole-5-carboxylic acid, 4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-1,6-dihydro-6-oxo-2-pyrimidinyl]thio]acetyl]phenyl ester; 4-[2-[[4-(1,3-Benzodioxol-5-ylmethyl)-5-ethyl-1,6-dihydro-6-oxo-2-pyrimidinyl]thio]acetyl]phenyl 1,3-benzodioxole-5-carboxylate; 4-({[4-(1,3-Benzodioxol-5-ylmethyl)-5-ethyl-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetyl)phenyl 1,3-benzodioxole-5-carboxylate
IUPAC Name	[4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]phenyl] 1,3-benzodioxole-5-carboxylate
Molecular Weight	572.59
Molecular Formula	C30H24N2O8S
Canonical SMILES	CCC1=C(N=C(NC1=O)SCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C5)OCO6
InChI	InChI=1S/C30H24N2O8S/c1-2-21-22(11-17-3-9-24-26(12-17)38-15-36-24)31-30(32-28(21)34)41-14-23(33)18-4-7-20(8-5-18)40-29(35)19-6-10-25-27(13-19)39-16-37-25/h3-10,12-13H,2,11,14-16H2,1H3,(H,31,32,34)
InChIKey	BVWCXSMWTFPGMN-UHFFFAOYSA-N
Boiling Point	773.7±70.0 °C at 760 mmHg
Density	1.46±0.1 g/cm3
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.