1207456-00-5

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1207456-00-5 Structure

Identification	Back 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 Properties	Back 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 Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319-H335
[Precautionary statements ] P261-P305+P351+P338-P302+P352

Hazard Information	Back 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 Detail	Back Directory
[Spectrum Detail] BMN 673 (8R,9S)(1207456-00-5)¹HNMR

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