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Delavirdine

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Category Human immunodeficiency Virus (HIV)
CAS 136817-59-9
Description 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.
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Product Information

Synonyms U 90152; U90152; U-90152; BHAP-U 90152
Molecular Weight 456.56
Molecular Formula C22H28N6O3S
Canonical SMILES CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C
InChI InChI=1S/C22H28N6O3S/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/h4-8,13-15,24-26H,9-12H2,1-3H3
InChIKey WHBIGIKBNXZKFE-UHFFFAOYSA-N
Boiling Point 732°C at 760mmHg
Melting Point 226-228°C
Flash Point 396.5°C
Purity >98%
Density 1.388g/cm3
Solubility In Vitro:
10 mM in DMSO
Appearance Solid powder
Storage Store at -20 °C.
Complexity 749
Exact Mass 456.19435995
Index Of Refraction 1.68
In Vitro Delavirdine inhibited recombinant HIV-1 RT at a 50% inhibitory concentration (IC50) of 0.26 microM. Delavirdine blocked the replication in peripheral blood lymphocytes of 25 primary HIV-1 isolates. Delavirdine had low cellular cytotoxicity, causing less than 8% reduction in peripheral blood lymphocyte viability at 100 microM.
In Vivo The mean values for the maximum concentration in serum (C(max)) of ritonavir, the area under the concentration-time curve from 0 to 12 h, and the minimum concentration in serum (C(min)) of ritonavir before the addition of delavirdine were 14.8 +/- 6.7 micro M, 94 +/- 36 micro M. h, and 3.6 +/- 2.1 micro M, respectively. These same parameters were increased to 24.6 +/- 13.9 micro M, 154 +/- 83 micro M. h, and 6.52 +/- 4.85 micro M, respectively, after the addition of delavirdine(P is <0.05 for all comparisons).
PSA 118.81000
Target IC50 Value: 0.26 uM (Recombinant HIV-1 RT)
Target: HIV-1 reverse transcriptase; NNRTI
Vapor Pressure 2.74E-21mmHg at 25°C
XLogP3-AA 2.4

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