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Fisogatinib (BLU-554) - 10mM in DMSO, high purity , CAS No.1707289-21-1, Inhibitor of fibroblast growth factor receptor 4
Description générale
Synonymes
AC-29871 | AS-55934 | BB160379 | BDBM50575072 | BLU554 | BLU-554 | 4-Hydroxy-8-methoxyquinoline-3-carboxylic acid ethyl ester, AldrichCPR | GTPL10220 | InChI=1/C13H10O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,14H,(H,15,16 | M0986 | N-[(3S,4S)-3-
Spécifications et pureté
Moligand™, 10mM in DMSO
Mécanismes biochimiques et physiologiques
Fisogatinib (BLU-554) is a potent, highly-selective, oral FGFR4 inhibitor with an IC50 value of 5 nM. The IC50s for FGFR1-3 is 624-2203 nM.
Température de stockage
Store at -80°C
Expédié en
Ice chest + Ice pads
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Grade
Moligand™
Type d'action
INHIBITOR
Mécanisme d'action
Inhibitor of fibroblast growth factor receptor 4
Product Description
Information
Fisogatinib (BLU-554) Fisogatinib (BLU-554) is a potent, highly-selective, oral FGFR4 inhibitor with an IC50 value of 5 nM. The IC50s for FGFR1-3 is 624-2203 nM.
Targets
FGFR4 (Cell-free assay) 5 nM
In vitro
BLU-554 exploits a unique interaction with FGFR4 to confer potency and selectivity
In vivo
BLU-554 is well tolerated in these tumor models. Administration of BLU-554 induces tumor regression in liver cancer models.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Classe
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Quinazolines
Direct Parent
Quinazolinamines
Alternative Parents
Dimethoxybenzenes Anisoles Dichlorobenzenes Phenoxy compounds Alkyl aryl ethers Aminopyrimidines and derivatives Aryl chlorides Oxanes Heteroaromatic compounds Acrylic acids and derivatives Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazolinamine - Dimethoxybenzene - M-dimethoxybenzene - 1,3-dichlorobenzene - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Halobenzene - Aminopyrimidine - Chlorobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Oxane - Benzenoid - Aryl halide - Aryl chloride - Pyrimidine - Heteroaromatic compound - Acrylic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
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.
Propriétés du produit
ALogP
4.229
hba_count
6
Nombre de HBD
2
Liaison rotative
7
Cibles associées (humaines)
Cibles associées (non humaines)
Mécanismes d'action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
Références
Noms et identifiants
IUPAC Name
N-[(3S,4S)-3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxan-4-yl]prop-2-enamide
INCHI
InChI=1S/C24H24Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h4-6,9-11,16-17H,1,7-8,12H2,2-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m0/s1
InChIKey
MGZKYOAQVGSSGC-DLBZAZTESA-N
Smiles
COC1=CC(=C(C(=C1Cl)C2=CC3=CN=C(N=C3C=C2)NC4COCCC4NC(=O)C=C)Cl)OC
Isomères SMILES
COC1=CC(=C(C(=C1Cl)C2=CC3=CN=C(N=C3C=C2)N[C@@H]4COCC[C@@H]4NC(=O)C=C)Cl)OC
Poids moléculaire
503.38
Reaxy-Rn
36627380
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36627380&ln=
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
Propriétés chimiques et physiques
DMSO (mg/mL) Solubilité maximale
100
DMSO (mM) Solubilité maximale
198.6570782
Eau (mg/mL) Solubilité maximale
＜1
Poids moléculaire
503.400 g/mol
XLogP3
4.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
7
Exact Mass
502.117 Da
Monoisotopic Mass
502.117 Da
Topological Polar Surface Area
94.600 Ų
Heavy Atom Count
34
Formal Charge
0
Complexity
688.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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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