ME 0328 - Moligand™, 10mM in DMSO , Inhibitor of poly(ADP-ribose) polymerase 1;Inhibitor of poly (ADP-ribose) polymerase 3, CAS No.1445251-22-8, Inhibitor of poly(ADP-ribose) polymerase 1;Inhibitor of poly (ADP-ribose) polymerase 3

CAS: 1445251-22-8 Cat. No.: M421632 Formula: C₁₉H₁₉N₃O₂ Peso molecolare: 321.37 Numero EC: 808-923-8 PubChem CID: 135566764

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

GTPL8468 | A14309 | AC-36476 | NCGC00379250-01 | HY-100225 | NCGC00379250-03 | 1445251-22-8 | s7438 | (S)-3-(4-Oxo-3,4-dihydroquinazolin-2-yl)-N-(1-phenylethyl)propanamide | 3-(4-oxo-1H-quinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide | C72731 | SCHEMBL

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinonimi

GTPL8468 | A14309 | AC-36476 | NCGC00379250-01 | HY-100225 | NCGC00379250-03 | 1445251-22-8 | s7438 | (S)-3-(4-Oxo-3,4-dihydroquinazolin-2-yl)-N-(1-phenylethyl)propanamide | 3-(4-oxo-1H-quinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide | C72731 | SCHEMBL

Specifiche e purezza

Moligand™, 10mM in DMSO

Meccanismi biochimici e fisiologici

ME0328 is a selective inhibitor of ADP-ribosyltransferase-3/poly(ADP-ribose) polymerase-3 (ARTD3/PARP3), a PARP family member involved in DNA repair. ME0328 is the most potent isomer of the four ARTD3 ADP-ribosyltransferase inhibitors. ME0328 selectively

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Inhibitor of poly(ADP-ribose) polymerase 1;Inhibitor of poly (ADP-ribose) polymerase 3

Nomi e identificatori

• Pubchem Sid: 528765442
• Sorrisi canonici: CC(C1=CC=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3C(=O)N2
• IUPAC Name: 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
• InChIKey: QIHBWVVVRYYYRO-ZDUSSCGKSA-N
• INCHI: 1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1
• Isomeri SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3C(=O)N2
• PubChem CID: 135566764
• Peso molecolare: 321.37

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: Pyrimidones Fatty amides Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Pyrimidone - Monocyclic benzene moiety - Fatty amide - Pyrimidine - Benzenoid - Fatty acyl - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: 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

Obiettivi associati (umani)

PARP3 Tclin Poly [ADP-ribose] polymerase 3 (2 Activities)

Discover Target: PARP3

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

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

Discover Target: PARP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PARP2 Tclin Poly [ADP-ribose] polymerase 2 (1185 Activities)

Discover Target: PARP2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PARP3 Tclin Poly [ADP-ribose] polymerase 3 (206 Activities)

Discover Target: PARP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PARP8 Tbio Poly [ADP-ribose] polymerase 8 (85 Activities)

Discover Target: PARP8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 321.400 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 321.148 Da
• Monoisotopic Mass: 321.148 Da
• Topological Polar Surface Area: 70.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 497.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1