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Enpp-1-IN-17

CAT: 0931-T79032-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T79032-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2289736-54-3
Target
Others, PDE
Related Pathways
Others, Metabolism
Bioactivity
Enpp-1-IN-17 (example 274) is a potent inhibitor of ENPP1, with inhibition constants (Ki values) ranging from 100 nM to 1 μM for cGAMP hydrolysis and greater than 1 μM for ATP hydrolysis, demonstrating a selectivity ratio of over 6.4 favoring cGAMP hydrolysis inhibition [1].
Smiles
O(C)C1=CC=2C(=NC=NC2C=C1OC)N3CCC4(CC3)CCNC4
Molecular Formula
C18H24N4O2
Molecular Weight
328.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Enpp-1-IN-17
CAS Number2289736-54-3
PubChem CID137536876
IUPAC Name4-(2,8-diazaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinazoline
Molecular FormulaC18H24N4O2
Molecular Weight328.4
XLogP2.2
Topological Polar Surface Area59.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity427
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC4(CCNC4)CC3)OC
InChI
InChI=1S/C18H24N4O2/c1-23-15-9-13-14(10-16(15)24-2)20-12-21-17(13)22-7-4-18(5-8-22)3-6-19-11-18/h9-10,12,19H,3-8,11H2,1-2H3
InChIKey
JFWDXDVLIPMYII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Enpp-1-IN-17
CAS: 2289736-54-3
CID: 137536876
Formula: C18H24N4O2
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass328.18992602
Monoisotopic Mass328.18992602
Topological Polar Surface Area59.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity427
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
GTR19218805-01Enpp-1-IN-17
BA8150-5Enpp-1-IN-1
BA8190-10Enpp-1-IN-16
BA6275-10Enpp-1-IN-19
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BA8154-25Enpp-1-IN-14

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