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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Dapivirine-[d11]

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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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