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244767-67-7

244767-67-7 Structure

244767-67-7 Structure
IdentificationBack Directory
[Name]

DAPIVIRINE,4-[[4-(2,4,6-TRIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL]AMINO]BENZONITRILE
[CAS]

244767-67-7
[Synonyms]

CS-566
R 147681
Dapivirine
TMC 120R147681
Dapivirine, >=98%
Dapivirine,TMC-120
TMC 120R147681 Dapivirine
Dapivirine TMC120, AIDS-105293
Dapivirine,TMC-120, 244767-67-7
Dapivirine - R 147681 | TMC 120
R 147681; TMC 120; TMC 120; R147681
DAPIVIRINE(TMC 120, TMC 120 R147681)
DAPIVIRINE (TMC120);R 147681; TMC 120
4-(4-(MESITYLAMINO)PYRIMIDIN-2-YLAMINO)BENZONITRILE
4-[[4-(2,4,6-TRIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL]AMINO]BENZONITRILE
4-[[4-[(2,4,6-TriMethylphenyl)aMino]-2-pyriMidinyl]aMino]benzonitrile
Benzonitrile, 4-[[4-[(2,4,6-triMethylphenyl)aMino]-2-pyriMidinyl]aMino]-
DAPIVIRINE,4-[[4-(2,4,6-TRIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL]AMINO]BENZONITRILE
DAPIVIRINE,4-[[4-(2,4,6-TRIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL]AMINO]BENZONITRILE USP/EP/BP
Dapivirine 4-[[4-[(2,4,6-Trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile
[Molecular Formula]

C20H19N5
[MDL Number]

MFCD09833899
[MOL File]

244767-67-7.mol
[Molecular Weight]

329.4
Chemical PropertiesBack Directory
[Melting point ]

218-222°C
[Boiling point ]

557.9±60.0 °C(Predicted)
[density ]

1.23±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.74±0.10(Predicted)
[color ]

Off-White to Light Beige
[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)
[InChIKey]

ILAYIAGXTHKHNT-UHFFFAOYSA-N
[SMILES]

CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Light Beige Solid
[Uses]

Non-nucleoside Reverse Transcriptase inhibitor. An antiviral agent
[Biological Activity]

Dapivirine is a diarylpyrimidine non-nucleoside reverse transcriptase inhibitor and has activity against wild-type virus strains and strains harboring different NNRTI resistance-inducing mutations.
[in vivo]

Dapivirine (16 mg/kg, once every 3 days for 12 days) exhibits potent antitumor activity in human glioblastoma models in mice[1].
Dapivirine has been shown to have a half-life in the range of 65 to 90 h[4].

Animal Model:U87 cells were subcutaneously injected into the nude mice[1].
Dosage:16 mg/kg.
Administration:Once every 3 days for 12 days.
Result:Significantly decreased the tumor volumes.
A significant decrease in Ki67 (a marker for proliferating cells that is overexpressed in many cancers) staining in sections of dapivirine-treated tumors compared to tumors from vehicle-treated mice.
[target]

HIV reverse transcriptase
[IC 50]

HIV-1
Spectrum DetailBack Directory
[Spectrum Detail]

DAPIVIRINE,4-[[4-(2,4,6-TRIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL]AMINO]BENZONITRILE(244767-67-7)1HNMR
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