Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.
Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.
Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
General Information |
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Catalog: BLP-004523 |
Molecular Formula: C18[13C]H10D4F2N6O |
Molecular Weight: 385.37 |
Chemical Structure |
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Description | Labelled analogue of Talazoparib. Talazoparib, also known as BMN-673, is an orally bioavailable inhibitor of the nuclear enzyme poly(ADP-ribose) polymerase (PARP) with potential antineoplastic activity. BMN-673 selectively binds to PARP and prevents PARP-mediated DNA repair of single strand DNA breaks via the base-excision repair pathway. BMN-673 has been proven to be highly active in mouse models of human cancer and also appears to be more selectively cytotoxic with a longer half-life and better bioavailability as compared to other compounds in development. |
Synonyms | (11S,12R)-7-fluoro-11-[4-fluoro(D4)phenyl]-12-(1-methyl-1H-1,2,4-triazol-5-yl)(11-13C)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one |
IUPAC Name | (11S,12R)-7-fluoro-12-(2-methyl-1,2,4-triazol-3-yl)-11-(2,3,5,6-tetradeuterio-4-fluorophenyl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one |
Related CAS | 1207456-01-6 (unlabelled) |
Canonical SMILES | CN1C(=NC=N1)C2C(NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F |
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-/m1/s1/i2D,3D,4D,5D,16+1 |
InChI Key | HWGQMRYQVZSGDQ-UWQIOMAISA-N |
Purity | >98% |
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