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

CAS: 1945950-20-8 Cat. No.: P287050 Summenformel: C₂₃H₂₅N₅O₄S₃ Molekulargewicht: 531.66 PubChem CID: 134169694

GRADE & PURITY ≥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-chinazolinsulfonamid

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht

Beschreibung des Produkts

PDD00017272 (34f) ist ein potenter Inhibitor der Poly(ADP-Ribose)-Glykohydrolase (PARG) mit einer EC50 von 4,8 nM bzw. 9,2 nM im biochemischen Test und im Zell-POM.

Specifications

Synonyme

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-chinazolinsulfonamid

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Potenter Poly(ADP-Ribose)-Glykohydrolase (PARG)-Inhibitor (IC50-Werte von 4,8 nM im biochemischen Assay und 9,2 nM im zellbasierten Assay).

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere 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
• Molekulargewicht: 531.66

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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)

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

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

Häufig gestellte Fragen

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.