senaparib - Moligand™, ≥98% , Poly [ADP-ribose] polymerase 2 inhibitor, CAS No.1401682-78-7, Poly [ADP-ribose] polymerase 2 inhibitor

CAS: 1401682-78-7 Cat. No.: S613532 Summenformel: C₂₄H₂₀F₂N₆O₃ Molekulargewicht: 478.45 PubChem CID: 68389008

GRADE & PURITY Moligand™, ≥98%

Synonyms

MNZ4OP95CF | 1401682-78-7 | IMP4297 | IMP-4297 | Senaparib [INN] | UNII-MNZ4OP95CF | 5-fluoro-1-[[4-fluoro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

MNZ4OP95CF | 1401682-78-7 | IMP4297 | IMP-4297 | Senaparib [INN] | UNII-MNZ4OP95CF | 5-fluoro-1-[[4-fluoro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Senaparib is a highly potent, selective PARP1/2 inhibitor. Senaparib (IMP4297) exhibits strong antitumor activity in animal models.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Poly [ADP-ribose] polymerase 2 inhibitor

Reinheit

≥98%

Produkteigenschaften

• ALogP: 2

Namen und Kennungen

• Pubchem Sid: 528768742
• Kanonisches Lächeln: C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=CC(=C3)CN4C5=C(C(=CC=C5)F)C(=O)NC4=O)F
• IUPAC Name: 5-fluoro-1-[[4-fluoro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione
• InChIKey: VBTUJTGLLREMNW-UHFFFAOYSA-N
• INCHI: 1S/C24H20F2N6O3/c25-17-6-5-15(14-32-19-4-1-3-18(26)20(19)21(33)29-24(32)35)13-16(17)22(34)30-9-11-31(12-10-30)23-27-7-2-8-28-23/h1-8,13H,9-12,14H2,(H,29,33,35)
• Isomere SMILES: C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=CC(=C3)CN4C5=C(C(=CC=C5)F)C(=O)NC4=O)F
• Alternative CAS-Nummer: 1401682-78-7
• PubChem CID: 68389008
• Molekulargewicht: 478.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Quinazolines 2-halobenzoic acids and derivatives Benzamides Dialkylarylamines Benzoyl derivatives Pyrimidones Fluorobenzenes Aminopyrimidines and derivatives Aryl fluorides Vinylogous halides Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Diazanaphthalene - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Quinazoline - Benzoic acid or derivatives - Benzamide - Dialkylarylamine - Benzoyl - Pyrimidone - Halobenzene - Fluorobenzene - Aminopyrimidine - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Tertiary carboxylic acid amide - Urea - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 478.500 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 478.156 Da
• Monoisotopic Mass: 478.156 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 804.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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