ChemicalBook--->CAS DataBase List--->1945950-21-9

1945950-21-9

1945950-21-9 Structure

1945950-21-9 Structure
IdentificationBack Directory
[Name]

PDD 00017273
[CAS]

1945950-21-9
[Synonyms]

PDD 00017273
PDD00017273 >=98% (HPLC)
1-[(1,3-Dimethyl-1H-pyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-N-(1-methylcyclopropyl)-3-[(2-methyl-5-thiazolyl)methyl]-2,4-dioxo-6-quinazolinesulfonamide
6-Quinazolinesulfonamide, 1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-N-(1-methylcyclopropyl)-3-[(2-methyl-5-thiazolyl)methyl]-2,4-dioxo-
[Molecular Formula]

C23H26N6O4S2
[MDL Number]

MFCD30536372
[MOL File]

1945950-21-9.mol
[Molecular Weight]

514.62
Chemical PropertiesBack Directory
[Boiling point ]

733.9±70.0 °C(Predicted)
[density ]

1.52±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 10 mg/ml
[form ]

A solid
[pka]

11.67±0.20(Predicted)
[color ]

White to light yellow
[InChIKey]

IFWUBRBMMNTBRZ-UHFFFAOYSA-N
[SMILES]

N1(CC2N(C)N=C(C)C=2)C2=C(C=C(S(NC3(C)CC3)(=O)=O)C=C2)C(=O)N(CC2SC(C)=NC=2)C1=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

PDD 00017273 is used as a chemical probe against poly(ADP-ribose) glycohydrolase (PARG) inhibit DNA repair with differential pharmacol. to olaparib.
[Biological Activity]

PDD00017273 is a potent and selective inhibitor of Poly(ADP-ribose) glycohydrolase (PARG)which catalyses hydrolysis of the O-glycosidic linkages of ADP-ribose polymersreversing the effects of poly(ADP-ribose) polymerases (PARPs). PARG has been shown to be involved in the repair of single strand DNA breaks. PDD00017273 is selective for PARGwith EC50 = 26 nMcompared to values of 30 μM for PARP1 and ARH3.''PDD00017273 is cell permeable in nature. It is used for specific killing of cells defective in certain homologous recombination (HR) proteins such as breast cancer gene 1/2 (BRCA1/2).
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

PDD 00017273(1945950-21-9)1HNMR
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