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Infigratinib (BGJ398)

CAT: 0957-S2183-10mgSize: 10 mgDry Ice: YesHazardous: No
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CAT#:0957-S2183-10mgSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
872511-34-7
Synonyms
NVP-BGJ398
Target
FGFR
Applications
Protein Tyrosine Kinase
Smiles
CCN1CCN (CC1) C2=CC=C (C=C2) NC3=CC (=NC=N3) N (C) C (=O) NC4=C (C (=CC (=C4Cl) OC) OC) Cl
Molecular Formula
C26H31Cl2N7O3
Additionnal Information
Infigratinib (BGJ398) is a potent and selective FGFR inhibitor for FGFR1/2/3 with IC50 of 0.9 nM/1.4 nM/1 nM in cell-free assays, >40-fold selective for FGFR versus FGFR4 and VEGFR2, and little activity to Abl, Fyn, Kit, Lck, Lyn and Yes. Phase 2.
Storage Conditions
2 years -80 in solvent

Chemical Information

Infigratinib

BGJ-398 is a member of the class of phenylureas that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 2,6-dichloro-3,5-dimethoxyphenyl group, while the hydrogens attached to the other nitrogen are replaced by a methyl group and a 6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl group. It is a potent and selective fibroblast growth factor receptor inhibitor. It has a role as an antineoplastic agent and a fibroblast growth factor receptor antagonist. It is a member of phenylureas, a dichlorobenzene, an aminopyrimidine, a N-alkylpiperazine and a N-arylpiperazine.

CAS Number872511-34-7
PubChem CID53235510
IUPAC Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea
Molecular FormulaC26H31Cl2N7O3
Molecular Weight560.5
XLogP4.7
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity724
SMILES
CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl
InChI
InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
InChIKey
QADPYRIHXKWUSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Infigratinib
CAS: 872511-34-7
CID: 53235510
Formula: C26H31Cl2N7O3
MW: 560.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight560.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass559.1865433
Monoisotopic Mass559.1865433
Topological Polar Surface Area95.1 Ų
Heavy Atom Count38
Formal Charge0
Complexity724
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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