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Enarodustat (hydrochloride)

CAT: 0804-HY-109057ASize: 1 EachDry Ice: NoHazardous: No
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Description
Enarodustat hydrochloride is a potent and orally active HIF/HIF Prolyl-Hydroxylase inhibitor, with an EC50 of 0.22 μM. Enarodustat hydrochloride has the potential for renal anemia treatment.
CAS Number
1262131-60-1
Product Name Alternative
JTZ-951 (hydrochloride) ; SAL0951 (hydrochloride)
UNSPSC
12352005
Target
HIF/HIF Prolyl-Hydroxylase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/enarodustat-hydrochloride.html
Solubility
10 mM in DMSO
Smiles
O=C(C(C1=NC=NN1C(CCC2=CC=CC=C2)=C3)=C3O)NCC(O)=O.Cl
Molecular Formula
C17H17ClN4O4
Molecular Weight
376.79
References & Citations
[1]Ogoshi Y, et al. Discovery of JTZ-951: A HIF Prolyl Hydroxylase Inhibitor for the Treatment of Renal Anemia. ACS Med Chem Lett. 2017 Nov 20;8 (12) :1320-1325.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

JTZ-951 hydrochloride
CAS Number1262131-60-1
PubChem CID67049587
IUPAC Name2-[[7-oxo-5-(2-phenylethyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride
Molecular FormulaC17H17ClN4O4
Molecular Weight376.8
Topological Polar Surface Area111
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity674
SMILES
C1=CC=C(C=C1)CCC2=CC(=O)C(=C3N2NC=N3)C(=O)NCC(=O)O.Cl
InChI
InChI=1S/C17H16N4O4.ClH/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24;/h1-5,8,10H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24);1H
InChIKey
CREWSCYEFIKFBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of JTZ-951 hydrochloride
CAS: 1262131-60-1
CID: 67049587
Formula: C17H17ClN4O4
MW: 376.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass376.0938327
Monoisotopic Mass376.0938327
Topological Polar Surface Area111 Ų
Heavy Atom Count26
Formal Charge0
Complexity674
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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