ChemicalBook CAS DataBase List 244767-67-7

244767-67-7

Name	DAPIVIRINE,4-[[4-(2,4,6-TRIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL]AMINO]BENZONITRILE
CAS	244767-67-7
Molecular Formula	C20H19N5
MDL Number	MFCD09833899
Molecular Weight	329.4
MOL File	244767-67-7.mol

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

Chemical Properties

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 Data

Symbol(GHS)	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 Information

Spectrum Detail

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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.

244767-67-7

Chemical Properties

Safety Data

Hazard Information

Chemical Properties

Uses

Biological Activity

in vivo

target

IC 50

Spectrum Detail

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