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FG-4592 (Roxadustat) 25mg

CAT: 0628-A11237-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A11237-25Size:25 mg
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CAS Number
808118-40-3

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
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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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