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PHD2-IN-1

CAT: 0013-GTR19218725-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218725-01Size:25 mg
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Description
PHD2-IN-1 is a potent, orally bioavailable inhibitor of HIF prolyl hydroxylase 2 (PHD2) with an IC50 of 22.53 nM. It is used in anemia research to stabilize HIF-α and promote erythropoiesis, applicable for both in vitro enzymatic assays and in vivo pharmacological studies.
CAS Number
2768219-28-7
Field of Research
Epigenetics & Chromatin, Metabolism Research
Smiles
OC1=CC (=CN=C1C (NCC (O) =O) =O) C2CCN (C (CNC3=CC=C (Cl) C=C3) =O) CC2
Molecular Formula
C21H23ClN4O5
Molecular Weight
446.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phd2-IN-1
CAS Number2768219-28-7
PubChem CID168476151
IUPAC Name2-[[5-[1-[2-(4-chloroanilino)acetyl]piperidin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
Molecular FormulaC21H23ClN4O5
Molecular Weight446.9
XLogP2.6
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity635
SMILES
C1CN(CCC1C2=CC(=C(N=C2)C(=O)NCC(=O)O)O)C(=O)CNC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H23ClN4O5/c22-15-1-3-16(4-2-15)23-11-18(28)26-7-5-13(6-8-26)14-9-17(27)20(24-10-14)21(31)25-12-19(29)30/h1-4,9-10,13,23,27H,5-8,11-12H2,(H,25,31)(H,29,30)
InChIKey
PNWJJULLNCIIMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phd2-IN-1
CAS: 2768219-28-7
CID: 168476151
Formula: C21H23ClN4O5
MW: 446.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.9
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass446.1356975
Monoisotopic Mass446.1356975
Topological Polar Surface Area132 Ų
Heavy Atom Count31
Formal Charge0
Complexity635
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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