PDD 00017272 - ≥98%(HPLC) , CAS No.1945950-20-8

CAS: 1945950-20-8 Cat. No.: P287050 Formule: C₂₃H₂₅N₅O₄S₃ Poids moléculaire: 531.66 PubChem CID: 134169694

QUALITÉ & PURETÉ ≥98%(HPLC)

Synonyms

1-[(2,4-Dimethyl-5-thiazolyl)methyl]-1,2,3,4-tetrahydro-N-(1-methylcyclopropyl)-3-[(2-methyl-5-thiazolyl)methyl]-2,4-dioxo-6-quinazolinesulfonamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Product description

PDD00017272 (34f) is a potent inhibitor of Poly(ADP-ribose) Glycohydrolase (PARG), with EC50 of 4.8 nM and 9.2 nM in biochemical assay and cell POM, respectively.

Spécifications

Synonymes

1-[(2,4-Dimethyl-5-thiazolyl)methyl]-1,2,3,4-tetrahydro-N-(1-methylcyclopropyl)-3-[(2-methyl-5-thiazolyl)methyl]-2,4-dioxo-6-quinazolinesulfonamide

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Potent poly (ADP ribose) glycohydrolase (PARG) inhibitor (IC50values are 4.8 nM in biochemical assay and 9.2 nM in cell based assay).

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(HPLC)

Noms et identifiants

Sourires canoniques

CC1=C(SC(=N1)C)CN2C3=C(C=C(C=C3)S(=O)(=O)NC4(CC4)C)C(=O)N(C2=O)CC5=CN=C(S5)C

IUPAC Name

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide

InChIKey

QOEXRJYTAZZRPL-UHFFFAOYSA-N

INCHI

1S/C23H25N5O4S3/c1-13-20(34-15(3)25-13)12-27-19-6-5-17(35(31,32)26-23(4)7-8-23)9-18(19)21(29)28(22(27)30)11-16-10-24-14(2)33-16/h5-6,9-10,26H,7-8,11-12H2,1-4H3

Isomères SMILES

CC1=C(SC(=N1)C)CN2C3=C(C=C(C=C3)S(=O)(=O)NC4(CC4)C)C(=O)N(C2=O)CC5=CN=C(S5)C

PubChem CID

134169694

Poids moléculaire

531.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: 2,4,5-trisubstituted thiazoles Pyrimidones 2,5-disubstituted thiazoles Organosulfonamides Benzenoids Vinylogous amides Heteroaromatic compounds Aminosulfonyl compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - 2,4,5-trisubstituted 1,3-thiazole - Pyrimidone - 2,5-disubstituted 1,3-thiazole - Benzenoid - Organosulfonic acid amide - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Aminosulfonyl compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Urea - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

PARG Tchem Poly(ADP-ribose) glycohydrolase (2 Activities)

Discover Target: PARG

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 10.63, Max Conc. mM: 20 with gentle warming

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1945950-20-8, the molecular formula is C??H??N?O?S?, and the molecular weight is 531.66 g/mol. InChIKey QOEXRJYTAZZRPL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.