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Enpp-1-IN-10

CAT: 0804-HY-143254-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-143254-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Enpp-1-IN-10 (compound 1) is a potent Ecto-nucleotide pyrophosphatase/phosphodiesterases 1 (ENPP1) inhibitor with an Ki value of 3.866 μM. Enpp-1-IN-10 can be used for researching anticancer[1].
CAS Number
2631704-38-4
UNSPSC
12352005
Target
Phosphodiesterase (PDE)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/enpp-1-in-10.html
Purity
98.64
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NC1=NC2=C(C(SCC(NC3=CC=CC=C3)=O)=N1)NC=N2
Molecular Formula
C13H12N6OS
Molecular Weight
300.34
References & Citations
[1]Gangar M, et al. Design, synthesis and biological evaluation studies of novel small molecule ENPP1 inhibitors for cancer immunotherapy. Bioorg Chem. 2022 Feb;119:105549.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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