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BMN 673

CAT: 0607-A4153-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A4153-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Potent PARP inhibitor
CAS Number
1207456-01-6
Product Name Alternative
(8S,9R)-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
Field of Research
Chromatin Epigenetics PARP DNA Damage DNA Repair PARP
Purity
0.9926
Form
A solid
Solubility
insoluble in H2O; ≥14.2 mg/mL in EtOH with gentle warming and ultrasonic; ≥19.02 mg/mL in DMSO
Smiles
FC1=CC2=C3C([C@H](C4=NC=NN4C)[C@@H](C(C=C5)=CC=C5F)NC3=C1)=NNC2=O
Molecular Formula
C19H14F2N6O
Molecular Weight
380.35
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Talazoparib

Talazoparib is an orally available small molecule inhibitor of the DNA repair enzyme poly ADP-ribose polymerase (PARP) which is used as an antineoplastic agent in the treatment of selected cases of breast cancer. Talazoparib is associated with a moderate rate of serum aminotransferase elevations during therapy and is suspected to cause rare instances of clinically apparent acute liver injury.

CAS Number1207456-01-6
PubChem CID135565082
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
Molecular FormulaC19H14F2N6O
Molecular Weight380.4
XLogP2.3
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity654
SMILES
CN1C(=NC=N1)[C@@H]2[C@H](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
InChIKey
HWGQMRYQVZSGDQ-HZPDHXFCSA-N
Chemical Structure
2D Structure
2D structure of Talazoparib
CAS: 1207456-01-6
CID: 135565082
Formula: C19H14F2N6O
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass380.11971542
Monoisotopic Mass380.11971542
Topological Polar Surface Area84.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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