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PARP-1-IN-32

CAT: 0931-T200950-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T200950-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
374069-33-7
Target
Poly (ADP-ribose) Glycohydrolase (PARG)
Related Pathways
Cell Cycle/Checkpoint
Bioactivity
PARP-1-IN-32 (compound 15) is an inhibitor of poly (ADPribose) polymerase-1 (PARP-1), specifically designed for use in cancer research.
Smiles
O=C1NC(=O)C=2C1=C3C4=CC(=CC=C4NC3=C5C2CCC5)C(=O)CCC(=O)O
Molecular Formula
C21H16N2O5
Molecular Weight
376.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Parp-1-IN-32
CAS Number374069-33-7
PubChem CID57399257
IUPAC Name4-(8,10-dioxo-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-15-yl)-4-oxobutanoic acid
Molecular FormulaC21H16N2O5
Molecular Weight376.4
XLogP2.1
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity736
SMILES
C1CC2=C(C1)C3=C(C4=C(N3)C=CC(=C4)C(=O)CCC(=O)O)C5=C2C(=O)NC5=O
InChI
InChI=1S/C21H16N2O5/c24-14(6-7-15(25)26)9-4-5-13-12(8-9)16-18-17(20(27)23-21(18)28)10-2-1-3-11(10)19(16)22-13/h4-5,8,22H,1-3,6-7H2,(H,25,26)(H,23,27,28)
InChIKey
PXBGCYWEALZWAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Parp-1-IN-32
CAS: 374069-33-7
CID: 57399257
Formula: C21H16N2O5
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.4
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass376.10592162
Monoisotopic Mass376.10592162
Topological Polar Surface Area116 Ų
Heavy Atom Count28
Formal Charge0
Complexity736
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19239847-01PARP-1-IN-32
AN200038PPARP-1/PARP Monoclonal Antibody
MBS5804496PARP-1-IN-1
BA3284-10PARP-1-IN-3
BA4382-25PARP-1-IN-4
BA3208-5PARP-1-IN-2
HY-179020PARP/VEGFR3-IN-1
HY-157490PARP/HDAC-IN-1
HY-163658PARP-1-IN-23
HY-133124-01PARP/PI3K-IN-1

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