Chlorazol Violet N

Category	Human immunodeficiency Virus (HIV)
CAS	2586-60-9
Description	Direct Violet 1, an azo dye, is a textile dye. Direct Violet 1 is also the protein-protein interaction (PPI) between the SARS-CoV-2 spike protein and ACE2 inhibitor with IC50s of 1.47-2.63 µM.

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Product Information

Synonyms	Chlorazol Violet N; Diamine violet; Direct Violet 1
IUPAC Name	disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
Molecular Weight	728.66
Molecular Formula	C32H22N6Na2O8S2
Canonical SMILES	C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)[O-])N)N=NC5=C(C=CC6=CC(=CC(=C65)O)S(=O)(=O)[O-])N.[Na+].[Na+]
InChI	InChI=1S/C32H24N6O8S2.2Na/c33-25-11-5-19-13-23(47(41,42)43)15-27(39)29(19)31(25)37-35-21-7-1-17(2-8-21)18-3-9-22(10-4-18)36-38-32-26(34)12-6-20-14-24(48(44,45)46)16-28(40)30(20)32;;/h1-16,39-40H,33-34H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2
InChIKey	VDRKHPFIMDTBNX-UHFFFAOYSA-L
Purity	95%
Density	1.64g/cm3
Solubility	In Vitro: H2O : 62.5 mg/mL(85.77 mM;Need ultrasonic)
Appearance	Off-white to brown (Solid)
Storage	4°C, sealed storage, away from moisture * In solvent : -80°C, 6 months -20°C, 1 month (sealed storage, away from moisture)
Complexity	1280
Exact Mass	728.07359259
Index Of Refraction	1.771
In Vitro	Direct violet 1 inhibits the binding of SARS-CoV-2-S-RBD to human ACE2, inhibits SARS-CoV-S1S2 binding to ACE2, and inhibits TNF-R1 binding to TNF α IC50 values are 1.47 μM, $2.63 μM, and 2.11 μM, respectively. Direct violet 1 inhibits the entry of SARS-CoV-2 pseudovirus into host cells for hACE2 expression in a concentration-dependent manner with an IC50 of 35.8 μM.
PSA	273.10000
Target	IC50: 1.47 µM (SARS-CoV-2-S-RBD binding to ACE2); 2.63 µM (SARS-CoV-S1S2 binding to ACE2); 2.11 µM (TNF-R1-TNFα binding)