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Infigratinib

CAT: 1596-AR-I04315-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
872511-34-7
Synonyms
3- (2,6-Dichloro-3,5-dimethoxyphenyl) -1- (6- ((4- (4-ethylpiperazin-1-yl) phenyl) amino) pyrimidin-4-yl) -1-methylurea
Molecular Formula
C26H31Cl2N7O3
Molecular Weight
560.48
API Name
Infigratinib

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

Alternative Products

CatalogName
BUP15525-01Infigratinib
CS-O-51864Infigratinib D8
KCC74610-01Infigratinib phosphate
HY-160124-01Infigratinib-Boc
MBS5813543Infigratinib acetate
S2183-1gInfigratinib (BGJ398)
GTR19208387-01Infigratinib mesylate
GTR19208386-01Infigratinib monohydrate
HY-13311S-01Infigratinib-d3

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