Niraparib cloridrato - ≥98% , CAS No.1038915-64-8

CAS: 1038915-64-8 Cat. No.: N302124 Formula: C₁₉H₂₀N₄O.HCl Peso molecolare: 356.85 Numero EC: 112-750-7

GRADE & PURITY ≥98%

Synonyms

EX-A1407 | AC-35440 | (S)-2-(4-(Piperidin-3-il)fenil)-2H-indazolo-7-carbossamide cloridrato | MK-4827 (HCl) | MK 4827 | MK 4827 cloridrato | DTXSID60146130 | MFCD20502397 | 2-(4-((3S)-Piperidin-3-il)fenil)-2H-indazolo-7-carbossamide cloridrato |

Storage

Conservare a -20°C

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Panoramica

MK-4827 (Niraparib) Hcl è un inibitore selettivo di PARP1/PARP2 con IC50 di 3,8 nM/2,1 nM; con grande attività nelle cellule tumorali con BRCA-1 e BRCA-2 mutanti; >330 volte selettivo contro PARP3, V-PARP e Tank1.

Specifications

Sinonimi

EX-A1407 | AC-35440 | (S)-2-(4-(Piperidin-3-il)fenil)-2H-indazolo-7-carbossamide cloridrato | MK-4827 (HCl) | MK 4827 | MK 4827 cloridrato | DTXSID60146130 | MFCD20502397 | 2-(4-((3S)-Piperidin-3-il)fenil)-2H-indazolo-7-carbossamide cloridrato |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Conservare a -20°C

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504770367
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770367
• Sorrisi canonici: C1CC(CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N.Cl
• IUPAC Name: 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;hydrochloride
• InChIKey: YXYDNYFWAFBCAN-PFEQFJNWSA-N
• INCHI: 1S/C19H20N4O.ClH/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);1H/t14-;/m1./s1
• Isomeri SMILES: C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N.Cl
• Peso molecolare: 356.85
• Reaxy-Rn: 19395264
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19395264&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Phenylpyrazoles Indazoles Aralkylamines Benzene and substituted derivatives Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperidine - Phenylpyrazole - Benzopyrazole - Indazole - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl 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

Proprietà chimiche e fisiche

• Peso molecolare: 356.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 356.14 Da
• Monoisotopic Mass: 356.14 Da
• Topological Polar Surface Area: 72.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 449.000
• 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: 2

XLogP3