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(rac) -Talazoparib

CAT: 0931-T204239-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204239-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1207454-56-5
Target
PARP
Related Pathways
DNA Damage/DNA Repair, Chromatin/Epigenetic
Bioactivity
(rac) -Talazoparib ((rac) -BMN-673) (Compound 47) is an orally active inhibitor of PARP1/2, with Ki values of 1.2 nM and 0.87 nM, respectively. It inhibits cellular PARylation at an EC50 of 2.51 nM. This compound leads to the accumulation of DNA damage and suppresses the proliferation of BRCA1/2-mutated MX-1 and Capan-1 cells, with IC50 values of 0.3 nM and 5 nM, respectively. Additionally, (rac) -Talazoparib exhibits antitumor activity in mouse models.
Smiles
O=C1NN=C2C=3C(=CC(F)=CC13)NC(C4=CC=C(F)C=C4)C2C5=NC=NN5C
Molecular Formula
C19H14F2N6O
Molecular Weight
380.351
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

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
CAS Number1207454-56-5
PubChem CID135743681
IUPAC Name7-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)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)
InChIKey
HWGQMRYQVZSGDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 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
CAS: 1207454-56-5
CID: 135743681
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 Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-14687(rac) -Talazoparib
204710Talazoparib
MBS3844687-01Talazoparib tosylate
CS-O-65035Talazoparib-d3
CS-EO-02583Talazoparib d4
HY-16106S1Talazoparib-d4

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