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Enpp-1-IN-6

CAT: 0931-T62903-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62903-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2718971-29-8
Target
Others, PDE
Related Pathways
Metabolism, Others
Bioactivity
Enpp-1-IN-6 is a potent inhibitor of ectonucleotide pyrophosphatase-phosphodiesterase 1 (enpp-1) with potential applications in cancer and infectious disease research.
Smiles
O(C)C1=CC=2C(=C3C(=NC2C=C1OC)C=CC(C)=C3)N4CCN(CCOS(N)(=O)=O)CC4
Molecular Formula
C22H28N4O5S
Molecular Weight
460.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Enpp-1-IN-6
CAS Number2718971-29-8
PubChem CID162679288
IUPAC Name2-[4-(2,3-dimethoxy-7-methylacridin-9-yl)piperazin-1-yl]ethyl sulfamate
Molecular FormulaC22H28N4O5S
Molecular Weight460.5
XLogP2.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity712
SMILES
CC1=CC2=C(C3=CC(=C(C=C3N=C2C=C1)OC)OC)N4CCN(CC4)CCOS(=O)(=O)N
InChI
InChI=1S/C22H28N4O5S/c1-15-4-5-18-16(12-15)22(17-13-20(29-2)21(30-3)14-19(17)24-18)26-8-6-25(7-9-26)10-11-31-32(23,27)28/h4-5,12-14H,6-11H2,1-3H3,(H2,23,27,28)
InChIKey
YDPMUXKTGOXBAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Enpp-1-IN-6
CAS: 2718971-29-8
CID: 162679288
Formula: C22H28N4O5S
MW: 460.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass460.17804118
Monoisotopic Mass460.17804118
Topological Polar Surface Area116 Ų
Heavy Atom Count32
Formal Charge0
Complexity712
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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HY-145064Enpp-1-IN-6
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BA8190-10Enpp-1-IN-16
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