Rilpivirine-[d6]

Category	Human immunodeficiency Virus (HIV)
CAS	1312424-26-2
Description	Rilpivirine-[d6] is the labelled analogue of Rilpivirine. Rilpivirine ia a novel non-nucleoside reverse transcriptase inhibitor. Rilpivirine seems to be well tolerated with less CNS disturbance than Efavirenz, and has non-teratogenic potential. An anti-HIV agent.

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Synonyms	Rilpivirine D6; 4-{[4-({4-[(E)-2-Cyanovinyl]-2,6-bis[(2H3)methyl]phenyl}amino)-2-pyrimidinyl]amino}benzonitrile
IUPAC Name	4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-bis(trideuteriomethyl)anilino]pyrimidin-2-yl]amino]benzonitrile
Molecular Weight	372.5
Molecular Formula	C22H12D6N6
Canonical SMILES	CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C=CC#N
InChI	InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+/i1D3,2D3
InChIKey	YIBOMRUWOWDFLG-XDMLVRQJSA-N
Boiling Point	634.1±65.0 °C at 760 mmHg
Melting Point	238-243°C
Purity	95% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in DMSO, Ethyl Acetate, Methanol
Appearance	White to Yellow Solid
Application	A labelled novel non-nucleoside reverse transcriptase inhibitor. Rilpivirine seems to be well tolerated with less CNS disturbance than Efavirenz, and has non-teratogenic potential.
Storage	Store at -20°C
Complexity	607
Exact Mass	372.19695508
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
PSA	100.65000
Target	HIV; Reverse Transcriptase
XLogP3-AA	4.5