BMN 673 - Moligand™, ≥98% , Inhibitor of poly(ADP-ribose) polymerase 1;Inhibitor of poly(ADP-ribose) polymerase 2, CAS No.1207456-01-6, Inhibitor of poly(ADP-ribose) polymerase 1;Inhibitor of poly(ADP-ribose) polymerase 2

Name: BMN 673 - Moligand™, ≥98% , Inhibitor of poly(ADP-ribose) polymerase 1;Inhibitor of poly(ADP-ribose) polymerase 2, CAS No.1207456-01-6, Inhibitor of poly(ADP-ribose) polymerase 1;Inhibitor of poly(ADP-ribose) polymerase 2
Brand: Aladdin Scientific
SKU: B127705
Availability: InStock

CAS: 1207456-01-6 Cat. No.: B127705 Formula: C₁₉H₁₄F₂N₆O Peso molecolare: 380.35 Numero EC: 815-271-8

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QUALITÀ & PUREZZA Moligand™ ? ≥98%

Synonyms

BMN673 | BMN-673 | Talazoparib | (11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(1-methyl-1H-1,2,4-triazol-5-yl)-2,3,10-triazatricyclo[7.3.1.0,5,13]trideca-1,5,7,9(13)-tetraen-4-one | (8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-2,7,8

Storage

Store at -20°C

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Ice chest + Ice pads

Scheda delle specifiche

Panoramica Specifiche Proprietà del prodotto Nomi e identificatori Documentazione Dati avanzati Taxonomic Classification Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Domande frequenti e articoli Calcolatori di soluzioni Recensioni

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Perché questa qualità

Moligand™, ≥98% Moligand™ per flussi di lavoro cromatografici e analitici sensibili che richiedono un'interferenza minima della linea di base.

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Stoccaggio e spedizione

Store at -20°C Spedizione Ice chest + Ice pads. Consultare il COA specifico del lotto per le specifiche esatte.

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Prova documentale

Citato in 0 pubblicazioni peer-reviewed su cromatografia, sintesi organica e reazioni di accoppiamento incrociato.

Panoramica

BMN 673 is a novel PARP inhibitor with IC50 of 0.58 nM. It is also a potent inhibitor of PARP-2, but does not inhibit PARG and is highly sensitive to PTEN mutation.

Specifiche

Sinonimi

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

BMN-673 is an orally bioavailable inhibitor of the nuclear enzyme poly(ADP-ribose) polymerase (PARP) with potential antineoplastic activity. PARP inhibitor BMN-673 selectively binds to PARP and prevents PARP-mediated DNA repair of single

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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 2

Purezza

≥98%

Proprietà del prodotto

ALogP

2.3

Nomi e identificatori

Pubchem Sid

528763461

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528763461

Sorrisi canonici

CN1C(=NC=N1)C2C(NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F

IUPAC Name

(11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

InChIKey

HWGQMRYQVZSGDQ-HZPDHXFCSA-N

INCHI

1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1

Isomeri SMILES

CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F

CAS alternativo

1207456-01-6,1373431-65-2

Termini MeSH

BMN 673;BMN-673;BMN673;talazoparib;Talzenna

Peso molecolare

380.35

Reaxy-Rn

19918515

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19918515&ln=

Documentazione

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Dati avanzati

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Classe Quinolines and derivatives
    - Subclass Phenylquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Quinolines and derivatives
Subclass	Phenylquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylquinolines
Alternative Parents	Phthalazinones Secondary alkylarylamines Pyridazinones Fluorobenzenes Aralkylamines Aryl fluorides Triazoles Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylquinoline - Phthalazinone - Phthalazine - Fluorobenzene - Halobenzene - Pyridazinone - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl halide - Aryl fluoride - Pyridazine - Benzenoid - Monocyclic benzene moiety - 1,2,4-triazole - Heteroaromatic compound - Azole - Lactam - Secondary amine - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Descrizione	This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
External Descriptors	Not available
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

Struttura 3D

Obiettivi associati (umani)

PARP1 Tclin Poly [ADP-ribose] polymerase 1 (9 Activities)

Discover Target: PARP1

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

PARP2 Tclin Poly [ADP-ribose] polymerase 2 (3 Activities)

Discover Target: PARP2

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Homo sapiens (32628 Activities)

Solubilità	DMSO 96 mg/mL Water <1 mg/mL Ethanol 96 mg/mL
Peso molecolare	380.400 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	380.12 Da
Monoisotopic Mass	380.12 Da
Topological Polar Surface Area	84.200 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	654.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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

BMN 673 - Moligand™, ≥98% , Inhibitor of poly(ADP-ribose) polymerase 1;Inhibitor of poly(ADP-ribose) polymerase 2, CAS No.1207456-01-6, Inhibitor of poly(ADP-ribose) polymerase 1;Inhibitor of poly(ADP-ribose) polymerase 2

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