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RO-0335

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Category Human immunodeficiency Virus (HIV)
CAS 867365-76-2
Description RO-0335 is a novel diphenylether nonnucleoside reverse transcriptase inhibitor. RO-0335 inhibits Wt HIV-1 with an IC50 of 1.1 nM and retained activity (IC50< 100 nM) against 92% of a large number of NNRTI-resistant clinical isolates.
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Product Information

Synonyms RO0335; RO 0335; N-[4-(aminosulfonyl)-2-chlorophenyl]-4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluoroBenzeneacetamide
IUPAC Name 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
Molecular Weight 573.21
Molecular Formula C21H13BrCl2FN3O4S
Canonical SMILES C1=CC(=C(C=C1S(=O)(=O)N)Cl)NC(=O)CC2=C(C(=C(C=C2)Br)OC3=CC(=CC(=C3)C#N)Cl)F
InChI InChI=1S/C21H13BrCl2FN3O4S/c22-16-3-1-12(20(25)21(16)32-14-6-11(10-26)5-13(23)8-14)7-19(29)28-18-4-2-15(9-17(18)24)33(27,30)31/h1-6,8-9H,7H2,(H,28,29)(H2,27,30,31)
InChIKey SBUUICLVCQQMFP-UHFFFAOYSA-N
Purity 99%
Solubility In vitro:
10 mM in DMSO
Appearance White to off-white (Solid)
Storage Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
Complexity 854
Exact Mass 570.91712
Target Reverse Transcriptase
XLogP3-AA 4.6

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