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Dapivirine-[d11]

General Information
Catalog: BLP-002430
CAS: 1329613-10-6
Molecular Formula: C20H8D11N5
Molecular Weight: 340.47
Chemical Structure
Dapivirine-[d11]
Description Dapivirine-[d11], is the labelled analogue of Dapivirine. Dapivirine is a NNRTI for HIV reverse transcriptase with IC50 of 24 nM, inhibiting a broad panel of HIV-1 isolates from different classes, inclucing a wide range of NNRTI-resistant isolates.
Synonyms 4-[[4-[(2,4,6-Trimethylphenyl-d11)amino]-2-pyrimidinyl]amino]benzonitrile; Dapivirine D11
IUPAC Name 4-[[4-[3,5-dideuterio-2,4,6-tris(trideuteriomethyl)anilino]pyrimidin-2-yl]amino]benzonitrile
Related CAS 244767-67-7 (unlabelled)
Canonical SMILES CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C
InChI InChI=1S/C20H19N5/c1-13-10-14(2)19(15(3)11-13)24-18-8-9-22-20(25-18)23-17-6-4-16(12-21)5-7-17/h4-11H,1-3H3,(H2,22,23,24,25)/i1D3,2D3,3D3,10D,11D
InChI Key ILAYIAGXTHKHNT-UXJCIKOESA-N
Boiling Point 557.9±60.0 °C at 760 mmHg
Melting Point 217-219°C
Flash Point 291.2±32.9 °C
Purity 96% (CP); 98% atom D
Density 1.2±0.1 g/cm3
Solubility Soluble in DMSO, Methanol
Appearance Light Brown Solid
Storage Store at -20°C

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