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1207456-00-5

1207456-00-5 Structure

1207456-00-5 Structure
IdentificationBack Directory
[Name]

BMN 673 (8R,9S)
[CAS]

1207456-00-5
[Synonyms]

BMN673 (8R
9S)-BMN-673
BMN 673 (8R
LT-673 8R,9S
BMN673 isomer
S-Talazoparib
(8R,9S)-LT-673
BMN673 (8R,9S)
BMN-673 (8R,9S)
(8R,9S)-BMN-673
BMN 673 (8R,9S)
9S)-Talazoparib
Talazoparib (8R
Talazoparib 8R,9S
BMN673 enantiomer
(8R,9S)-Talazoparib
Talazoparib racemic
BMN-673 8R,9R isomer
Talazoparib (BMN 673) 8R,9S
TALAZOPARIB (8R;9S);(8R;9S)-BMN-673;BMN673 (8R;9S);BMN 673 (8R;9S)
(8R,9S)-5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4
(8R,9S)-5-fluoro-8-(4-fluorophenyl)-9-(1-Methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
(8R,9S)-5-Fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3H-pyrido[4,3,2-de]phthalazin-3-one
(8R,9S)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one
(8R,9S)-5-Fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-Methyl-1H-1,2,4-triazol-5-yl)-3H-pyrido[4,3,2-de]phthalazine-3-one
3H-Pyrido[4,3,2-de]phthalazin-3-one, 5-fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-, (8R,9S)-
[Molecular Formula]

C19H14F2N6O
[MDL Number]

MFCD25372032
[MOL File]

1207456-00-5.mol
[Molecular Weight]

380.35
Chemical PropertiesBack Directory
[density ]

1.63±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

≥38 mg/mL in DMSO with gentle warming; insoluble in H2O; ≥15.03 mg/mL in EtOH with gentle warming and ultrasonic
[form ]

solid
[pka]

10.14±0.60(Predicted)
[color ]

White to off-white
[InChI]

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-/m0/s1
[InChIKey]

HWGQMRYQVZSGDQ-HOTGVXAUSA-N
[SMILES]

C1(=O)C2=C3C(N[C@@H](C4=CC=C(F)C=C4)[C@H](C4N(C)N=CN=4)C3=NN1)=CC(F)=C2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338-P302+P352
Hazard InformationBack Directory
[Uses]

(8R,9S)-Talazoparib ((8R,9S)-BMN-673) is an enantiomer of Talazoparib. (8R,9S)-Talazoparib is an PARP1 inhibitor, with an IC50 of 144 nM[1].
[IC 50]

PARP-1: 144 nM (IC50)
[References]

[1] Wang B, et al. Discovery and Characterization of (8S,9R)-5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one (BMN 673, Talazoparib), a Novel, Highly Potent, and Orally Efficacious Poly(ADP- DOI:10.1021/acs.jmedchem.5b01498
Spectrum DetailBack Directory
[Spectrum Detail]

BMN 673 (8R,9S)(1207456-00-5)1HNMR
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