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FG-2216 - 10mM in DMSO, high purity , CAS No.223387-75-5
Basic Description
Synonyms
FG-2216 | 223387-75-5 | FG2216 | (1-chloro-4-hydroxyisoquinoline-3-carbonyl)glycine | N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE | CHEMBL426560 | IOX3;YM311 | RU921DS4Z5 | 2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)acetic acid | Glycine, N-[(1-chloro-4-hy
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
FG-2216 is a potent, and orally active HIF prolyl 4-hydroxylase inhibitor with IC50 of 3.9 μM for PHD2. Phase 2.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
FG-2216 FG-2216 is a potent, and orally active HIF prolyl 4-hydroxylase inhibitor with IC50 of 3.9 μM for PHD2 . Phase 2.
Targets
PHD2 (Cell-free assay) 3.9 μM
In vitro
FG-2216 shows the ability to stabilize HIF-α to stimulate EPO secretion.
In vivo
In male rhesus macaques, FG-2216 (60 mg/kg, p.o.), induces significant and reversible Epo induction, and induces a small elevation of HbF expression.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Isoquinolines and derivatives Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides 2-halopyridines Hydroxypyridines Aryl chlorides Benzenoids Heteroaromatic compounds Vinylogous acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Isoquinoline - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - 2-halopyridine - Hydroxypyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Product Properties
ALogP
1.337
hba_count
3
HBD Count
2
Rotatable Bond
3
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid
INCHI
InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
InChIKey
OUQVKRKGTAUJQA-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)O
Isomeric SMILES
C1=CC=C2C(=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)O
Molecular Weight
280.66
Reaxy-Rn
10565114
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10565114&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility
56
DMSO(mM) Max Solubility
199.52968
Water(mg / mL) Max Solubility
＜1
Molecular Weight
280.660 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
280.025 Da
Monoisotopic Mass
280.025 Da
Topological Polar Surface Area
99.500 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
366.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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