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Enpp-1-IN-10

CAT: 0931-T60669-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60669-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2631704-38-4
Target
Others, PDE
Related Pathways
Others, Metabolism
Bioactivity
Enpp-1-IN-10 (compound 1) is a potent inhibitor of Ecto-nucleotide pyrophosphatase/phosphodiesterases 1 (ENPP1) with a Ki value of 3.866 μM, suitable for anticancer research [1].
Smiles
S(CC(NC1=CC=CC=C1)=O)C2=C3C(N=CN3)=NC(N)=N2
Molecular Formula
C13H12N6OS
Molecular Weight
300.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Enpp-1-IN-10
CAS Number2631704-38-4
PubChem CID164886578
IUPAC Name2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-phenylacetamide
Molecular FormulaC13H12N6OS
Molecular Weight300.34
XLogP1.5
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity365
SMILES
C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2NC=N3)N
InChI
InChI=1S/C13H12N6OS/c14-13-18-11-10(15-7-16-11)12(19-13)21-6-9(20)17-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,17,20)(H3,14,15,16,18,19)
InChIKey
OSCDWLWFLRMICV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Enpp-1-IN-10
CAS: 2631704-38-4
CID: 164886578
Formula: C13H12N6OS
MW: 300.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.34
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass300.07933020
Monoisotopic Mass300.07933020
Topological Polar Surface Area135 Ų
Heavy Atom Count21
Formal Charge0
Complexity365
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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