Cyclotriazadisulfonamide

Category	Human immunodeficiency Virus (HIV)
CAS	182316-44-5
Description	Cyclotriazadisulfonamide is a CD4-targeted HIV entry inhibitor. CADA inhibits HIV at submicromolar levels by specifically down-modulating cell-surface and intracellular CD4.

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Synonyms	CADA; 9-benzyl-3-methylene-1,5-bis(p-tolylsulfonyl)-1,5,9-triazacyclododecane
IUPAC Name	9-benzyl-3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane
Molecular Weight	581.79
Molecular Formula	C31H39N3O4S2
Canonical SMILES	CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=CC=C4
InChI	InChI=1S/C31H39N3O4S2/c1-26-11-15-30(16-12-26)39(35,36)33-21-7-19-32(25-29-9-5-4-6-10-29)20-8-22-34(24-28(3)23-33)40(37,38)31-17-13-27(2)14-18-31/h4-6,9-18H,3,7-8,19-25H2,1-2H3
InChIKey	SRJIECKMPIRMJJ-UHFFFAOYSA-N
Purity	>98%
Solubility	Soluble in DMSO.
Appearance	Solid Powder
Storage	Store at -20°C
Complexity	928
Exact Mass	581.23819908
In Vitro	Cyclotriazasulfonamide (CADA) significantly reduces the number of CD4 on the cell surface, which is the main receptor for HIV, without altering the expression of any other cellular receptor detected to date. The EC50 of cyclitazodisulfonamide (CADA) is 0.4 μμmo-DC cells of CD4 g/mL. The treatment of MO-DCμg/mL with CADA at 10 μg/ml results in downregulation of 83% of cell surface CD4, an effect similar to that observed in the treatment of CD4+ T cells by CADA. CADA protects MT-4 cells from infection with HIV-1 and SIV (EC50 of 0.7 and 1.2 g/ml, respectively).
PSA	94.76000
Target	HIV
XLogP3-AA	4.7