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Roxadustat

CAT: 0804-HY-13426-08Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-13426-08Size:1 g
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Description
Roxadustat is an orally active hypoxia-inducible factor prolyl-hydroxylase (PHD) inhibitor (HIF-PHI) that promotes erythropoiesis through increasing endogenous erythropoietin, improving iron regulation, and reducing hepcidin[1].
CAS Number
808118-40-3
Product Name Alternative
FG-4592
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Ferroptosis; HIF/HIF Prolyl-Hydroxylase
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/FG-4592.html
Purity
99.92
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)CNC(C1=C(O)C2=C(C(C)=N1)C=C(OC3=CC=CC=C3)C=C2)=O
Molecular Formula
C19H16N2O5
Molecular Weight
352.34
Precautions
H302, H315, H319, H335
References & Citations
[1]Provenzano R, et al. Roxadustat (FG-4592) Versus Epoetin Alfa for Anemia in Patients Receiving MaintenanceHemodialysis: A Phase 2, Randomized, 6- to 19-Week, Open-Label, Active-Comparator, Dose-Ranging, Safety and Exploratory Efficacy Study. Am J Kidney Dis. 2016 Jun;67 (6) :912-24.|[2]Wu K, et al. Stabilization of HIF-1α by FG-4592 promotes functional recovery and neural protection in experimental spinal cord injury. Brain Res. 2016 Feb 1;1632:19-26.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

FG 4592

Roxadustat is an N-acylglycine resulting from the formal condensation of the amino group of glycine with the carboxy group of 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylic acid. It is an inhibitor of hypoxia inducible factor prolyl hydroxylase (HIF-PH). It has a role as an EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor and an EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor. It is a N-acylglycine, a member of isoquinolines and an aromatic ether.

CAS Number808118-40-3
PubChem CID11256664
IUPAC Name2-[(4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carbonyl)amino]acetic acid
Molecular FormulaC19H16N2O5
Molecular Weight352.3
XLogP3.4
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity508
SMILES
CC1=C2C=C(C=CC2=C(C(=N1)C(=O)NCC(=O)O)O)OC3=CC=CC=C3
InChI
InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)
InChIKey
YOZBGTLTNGAVFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of FG 4592
CAS: 808118-40-3
CID: 11256664
Formula: C19H16N2O5
MW: 352.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.3
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass352.10592162
Monoisotopic Mass352.10592162
Topological Polar Surface Area109 Ų
Heavy Atom Count26
Formal Charge0
Complexity508
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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