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Home > Products > Specialty & Industrial Chemicals > Specialty Chemicals > Benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-)
Benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-) structure, CAS 244767-67-7

Benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-)

CAS Number244767-67-7

Synonyms4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}benzonitrile; 4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzenecarbonitrile; Dapivirine (TMC120); TMC120; R-147681; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile; Dapivirine; 4-{[4-(Mesitylamino)pyrimidin-2-yl]amino}benzonitrile; dapivirinum

Molecular FormulaC20H19N5

Molecular Weight329.40

Purity≥95 (H-NMR)%

Density1.2±0.1 g/cm3

Boiling Point557.9±60.0 °C at 760 mmHg

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9063389 Purity: ≥95 (H-NMR)%
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Quality Control of [ 244767-67-7 ] Purity: ≥95 (H-NMR)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number244767-67-7
Catalog No.2A-9063389
Chinese NameDapivirine
Synonyms4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}benzonitrile; 4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzenecarbonitrile; Dapivirine (TMC120); TMC120; R-147681; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile; Dapivirine; 4-{[4-(Mesitylamino)pyrimidin-2-yl]amino}benzonitrile; dapivirinum
Molecular FormulaC20H19N5
Molecular Weight329.40
Purity≥95 (H-NMR)
Density1.2±0.1 g/cm3
Boiling Point557.9±60.0 °C at 760 mmHg
Appearancepowder
Storage Condition-20°C
ApplicationDapivirine (TMC 120, TMC 120 R147681) is an HIV non-nucleoside reverse transcriptase inhibitor (NNRTI) with an IC50 of 24 nM and can inhibit various HIV-1 strains including NNRTI resistance.
SMILESCC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C
InChI1S/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)
InChI KeyILAYIAGXTHKHNT-UHFFFAOYSA-N
NACRES CodeNA.41
UNSPSC51101500
MSDSmsds/63389_1_244767_67_7.pdf
Transport InfoProduct name: Dapivirine (TMC120)
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