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PZ0180

Sigma-Aldrich

Delavirdine mesylate

≥98% (HPLC)

Synonym(s):

N-[2-[[4-[3-[(1-Methylethyl)amino]-2-pyridinyl]-1-piperazinyl]carbonyl]-1H-indol-5-yl]methanesulfonamide mesylate, Rescriptor

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About This Item

Empirical Formula (Hill Notation):
C22H28N6O3S · CH3SO3H
CAS Number:
147221-93-0
Molecular Weight:
552.67
MDL number:
MFCD00866948
UNSPSC Code:
51111800
PubChem Substance ID:
329823754
NACRES:
NA.77

Assay

≥98% (HPLC)

form

powder

color

white to tan

mp

315 °C

solubility

DMSO: >5 mg/mL

storage temp.

room temp

SMILES string

CS(O)(=O)=O.CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(NS(C)(=O)=O)ccc4[nH]3

InChI

1S/C22H28N6O3S.CH4O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-5(2,3)4/h4-8,13-15,24-26H,9-12H2,1-3H3;1H3,(H,2,3,4)

InChI key

MEPNHSOMXMALDZ-UHFFFAOYSA-N

Biochem/physiol Actions

Delavirdine is a non-nucleoside reverse transcriptase inhibitor (NNRTI). It is used as part of highly active antiretroviral therapy (HAART) for the treatment of human immunodeficiency virus (HIV) type 1.

Features and Benefits

This compound is a featured product for ADME Tox research. Click here to discover more featured ADME Tox products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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I-Chan Huang et al.
Health services research, 43(1 Pt 1), 327-339 (2008-01-24)
To compare different approaches to address ceiling effects when predicting EQ-5D index scores from the 10 subscales of the MOS-HIV Health Survey. Data were collected from an HIV treatment trial. Statistical methods included ordinary least squares (OLS) regression, the censored
I-Chan Huang et al.
Quality of life research : an international journal of quality of life aspects of treatment, care and rehabilitation, 16(6), 1065-1072 (2007-04-07)
Most US studies that estimate EQ-5D index score generally apply the UK preference weights. We compared the validity of a newly-developed US weights to the UK weights for use of EQ-5D as a measure of health-related quality of life. Data
Qing Xia et al.
Protein science : a publication of the Protein Society, 16(8), 1728-1737 (2007-07-28)
Nonnucleoside reverse transcriptase inhibitors (NNRTI) are a group of structurally diverse compounds that bind to a single site in HIV-1 reverse transcriptase (RT), termed the NNRTI-binding pocket (NNRTI-BP). NNRTI binding to RT induces conformational changes in the enzyme that affect
Michal Stefanik et al.
Microorganisms, 8(4) (2020-04-25)
Vector-borne flaviviruses (VBFs) affect human health worldwide, but no approved drugs are available specifically to treat VBF-associated infections. Here, we performed in silico screening of a library of U.S. Food and Drug Administration-approved antiviral drugs for their interaction with Zika
Shauna A Clark et al.
AIDS (London, England), 20(7), 981-984 (2006-04-11)
HIV-1 hypersusceptibility to non-nucleoside reverse transcriptase inhibitors (NNRTI) improves the response to NNRTI-containing regimens. The genetic basis for NNRTI hypersusceptibility was partly defined in our earlier analyses of a paired genotype-phenotype dataset of viral isolates from treatment-experienced patients, in which
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