Infigratinib

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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 Number	872511-34-7
PubChem CID	53235510
IUPAC Name	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea
Molecular Formula	C26H31Cl2N7O3
Molecular Weight	560.5
XLogP	4.7
Topological Polar Surface Area	95.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	38
Formal Charge	0
Complexity	724

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

CAS: 872511-34-7

CID: 53235510

Formula: C26H31Cl2N7O3

MW: 560.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	560.5
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	559.1865433
Monoisotopic Mass	559.1865433
Topological Polar Surface Area	95.1 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	724
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS3606339-01	Infigratinib
BA8959-50	Infigratinib-Boc
MBS5755292	Infigratinib phosphate
GTR19208388-01	Infigratinib acetate
GTR19208387-01	Infigratinib mesylate
GTR19208386-01	Infigratinib monohydrate
S2183-25mg	Infigratinib (BGJ398)
CS-O-51864	Infigratinib D8
HY-13311S-01	Infigratinib-d3

Infigratinib

Chemical Information

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