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DR 2313

CAT: 0013-GTR19155706-04Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155706-04Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DR 2313 is a competitive inhibitor of poly (ADP-ribose) polymerase (IC50: 0.20 and 0.24 μM for PARP-1 and PARP-2 respectively) . It also has neuroprotective.
CAS Number
284028-90-6
Purity
>98% (HPLC)
Solubility
DMSO:83.3mg/mL; H2O:9.1mg/mL
Smiles
O=C (N=C (C) N1) C2=C1CCSC2
Molecular Formula
C8H10N2OS
Molecular Weight
182.24
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-Methyl-3,5,7,8-tetrahydrothiopyrano(4,3-d)pyrimidine-4-one

a neuroprotective agent; structure in first source

CAS Number284028-90-6
PubChem CID135522417
IUPAC Name2-methyl-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
Molecular FormulaC8H10N2OS
Molecular Weight182.25
XLogP-0.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity293
SMILES
CC1=NC2=C(CSCC2)C(=O)N1
InChI
InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
InChIKey
HRYKZAKEAVZGJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-3,5,7,8-tetrahydrothiopyrano(4,3-d)pyrimidine-4-one
CAS: 284028-90-6
CID: 135522417
Formula: C8H10N2OS
MW: 182.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.25
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass182.05138412
Monoisotopic Mass182.05138412
Topological Polar Surface Area66.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity293
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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