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TP0463518

CAT: 0931-T5392-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T5392-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1558021-37-6
Target
HIF/HIF Prolyl-Hydroxylase
Related Pathways
Chromatin/Epigenetic, Metabolism
Purity
0.9952
Bioactivity
TP-0463518 is a highly potent HIF prolyl hydroxylase (PHD) inhibitor (IC50s: 13 nM and 18 nM for human and rat PHD2, respectively) .
Smiles
OC(=O)CNC(=O)C1=C(O)CCN(Cc2ccc(Oc3ccc(Cl)cc3)nc2)C1=O
Molecular Formula
C20H18ClN3O6
Molecular Weight
431.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

TP-0463518

inhibitor for hypoxia-inducible factor prolyl hydroxylases

CAS Number1558021-37-6
PubChem CID73052863
IUPAC Name2-[[1-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
Molecular FormulaC20H18ClN3O6
Molecular Weight431.8
XLogP2.8
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity692
SMILES
C1CN(C(=O)C(=C1O)C(=O)NCC(=O)O)CC2=CN=C(C=C2)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H18ClN3O6/c21-13-2-4-14(5-3-13)30-16-6-1-12(9-22-16)11-24-8-7-15(25)18(20(24)29)19(28)23-10-17(26)27/h1-6,9,25H,7-8,10-11H2,(H,23,28)(H,26,27)
InChIKey
HMMHKGLPKAQOOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TP-0463518
CAS: 1558021-37-6
CID: 73052863
Formula: C20H18ClN3O6
MW: 431.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.8
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass431.0884130
Monoisotopic Mass431.0884130
Topological Polar Surface Area129 Ų
Heavy Atom Count30
Formal Charge0
Complexity692
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

Alternative Products

CatalogName
BA7806-10TP0463518
A20183-100TP0463518 100mg
A20183-10TP0463518 10mg
A20183-50TP0463518 50mg
A20183-25TP0463518 25mg
A20183-5TP0463518 5mg
A20183-10mM-DTP0463518 10mM * 1mL in DMSO

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