RO-0335
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MedKoo CAT#: 503850

CAS#: 867365-76-2

Description: RO-0335 is a novel diphenylether nonnucleoside reverse transcriptase inhibitor. Two pathways to loss of susceptibility to RO-0335 were observed, containing patterns of amino acid changes at either V106I/A plus F227C (with additional contributions from A98G, V108I, E138K, M230L and P236L) or V106I/Y188L (with a potential contribution from L100I, E138K and Y181C). Characterization of the observed mutations by site-directed mutagenesis in the isogenic HXB2D background demonstrated that a minimum of two or more mutations were required for significant loss of susceptibility, with the exception of Y188L, which requires a two-nucleotide change. Patterns containing F227C or quadruple mutations selected by RO-0335 showed a low relative fitness value when compared to wild-type HXB2D.


Chemical Structure

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RO-0335
CAS# 867365-76-2

Theoretical Analysis

MedKoo Cat#: 503850
Name: RO-0335
CAS#: 867365-76-2
Chemical Formula: C21H13BrCl2FN3O4S
Exact Mass: 570.91712
Molecular Weight: 573.22
Elemental Analysis: C, 44.00; H, 2.29; Br, 13.94; Cl, 12.37; F, 3.31; N, 7.33; O, 11.16; S, 5.59

Price and Availability

Size Price Availability Quantity
25.0mg USD 450.0 2 Weeks
50.0mg USD 750.0 2 Weeks
100.0mg USD 1250.0 2 Weeks
200.0mg USD 1950.0 2 Weeks
500.0mg USD 2850.0 2 Weeks
1.0g USD 3950.0 2 Weeks
2.0g USD 6950.0 2 Weeks
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Synonym: RO0335 RO-0335 RO 0335

IUPAC/Chemical Name: 2-(4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl)-N-(2-chloro-4-sulfamoylphenyl)acetamide

InChi Key: SBUUICLVCQQMFP-UHFFFAOYSA-N

InChi Code: 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)

SMILES Code: O=C(NC1=CC=C(S(=O)(N)=O)C=C1Cl)CC2=CC=C(Br)C(OC3=CC(C#N)=CC(Cl)=C3)=C2F

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >5 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Product Data:

Biological target: RO-0335 is a novel diphenylether nonnucleoside reverse transcriptase inhibitor.
In vitro activity: To study potential pathways leading to resistance against the novel diphenylether NNRTI, RO-0335, sequential passage experiments at low multiplicity of infection (MOI) were performed to solicit a stepwise selection of resistance mutations. Two pathways to loss of susceptibility to RO-0335 were observed, containing patterns of amino acid changes at either V106I/A plus F227C (with additional contributions from A98G, V108I, E138K, M230L and P236L) or V106I/Y188L (with a potential contribution from L100I, E138K and Y181C). Characterization of the observed mutations by site-directed mutagenesis in the isogenic HXB2D background demonstrated that a minimum of two or more mutations were required for significant loss of susceptibility, with the exception of Y188L, which requires a two-nucleotide change. Patterns containing F227C or quadruple mutations selected by RO-0335 showed a low relative fitness value when compared to wild-type HXB2D. Reference: Javanbakht H, Ptak RG, Chow E, Yan JM, Russell JD, Mankowski MK, Hogan PA, Hogg JH, Vora H, Hang JQ, Li Y, Su G, Paul A, Cammack N, Klumpp K, Heilek G. In vitro resistance development for RO-0335, a novel diphenylether nonnucleoside reverse transcriptase inhibitor. Antiviral Res. 2010 May;86(2):212-9. doi: 10.1016/j.antiviral.2010.02.323. Epub 2010 Feb 26. PMID: 20219553.
In vivo activity: TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 573.22 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: Javanbakht H, Ptak RG, Chow E, Yan JM, Russell JD, Mankowski MK, Hogan PA, Hogg JH, Vora H, Hang JQ, Li Y, Su G, Paul A, Cammack N, Klumpp K, Heilek G. In vitro resistance development for RO-0335, a novel diphenylether nonnucleoside reverse transcriptase inhibitor. Antiviral Res. 2010 May;86(2):212-9. doi: 10.1016/j.antiviral.2010.02.323. Epub 2010 Feb 26. PMID: 20219553.
In vitro protocol: Javanbakht H, Ptak RG, Chow E, Yan JM, Russell JD, Mankowski MK, Hogan PA, Hogg JH, Vora H, Hang JQ, Li Y, Su G, Paul A, Cammack N, Klumpp K, Heilek G. In vitro resistance development for RO-0335, a novel diphenylether nonnucleoside reverse transcriptase inhibitor. Antiviral Res. 2010 May;86(2):212-9. doi: 10.1016/j.antiviral.2010.02.323. Epub 2010 Feb 26. PMID: 20219553.
In vivo protocol: TBD

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 1: Javanbakht H, Ptak RG, Chow E, Yan JM, Russell JD, Mankowski MK, Hogan PA, Hogg JH, Vora H, Hang JQ, Li Y, Su G, Paul A, Cammack N, Klumpp K, Heilek G. In vitro resistance development for RO-0335, a novel diphenylether nonnucleoside reverse transcriptase inhibitor. Antiviral Res. 2010 May;86(2):212-9. Epub 2010 Feb 26. PubMed PMID: 20219553

RO-0335

25.0mg / USD 450.0


Additional Information