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NVP-BGJ398 phosphate

CAT: 0607-A3673-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-A3673-100Size:100 mg
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Description
FGFR inhibitor
CAS Number
1310746-10-1
Product Name Alternative
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-((4-(4-ethylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)-1-methylurea phosphate
Sequence
BGJ-398 phosphate; BGJ 398 phosphate; NVP BGJ398 phosphate
Field of Research
Tyrosine Kinase FGFR
Purity
0.9978
Solubility
insoluble in EtOH; ≥28.07 mg/mL in H2O with gentle warming and ultrasonic; ≥95.7 mg/mL in DMSO
Smiles
COC1=C(Cl)C(NC(N(C)C2=CC(NC3=CC=C(N4CCN(CC)CC4)C=C3)=NC=N2)=O)=C(Cl)C(OC)=C1.OP(O)(O)=O
Molecular Formula
C26H34Cl2N7O7P
Molecular Weight
658.47
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Infigratinib Phosphate

Infigratinib Phosphate is the phosphate salt form of infigratinib, an orally bioavailable pan-inhibitor of human fibroblast growth factor receptors (FGFRs) with potential antiangiogenic and antineoplastic activities. Upon administration, infigratinib selectively binds to and inhibits the activities of FGFRs, which may result in the inhibition of angiogenesis and cell proliferation, and the induction of cell death in tumors with activating FGFR amplifications, mutations, or fusions. FGFRs are a family of receptor tyrosine kinases that are involved in tumor cell differentiation and proliferation, tumor angiogenesis, and tumor cell survival. Activating FGFR amplifications, mutations, or fusions occur in various cancer cell types.

CAS Number1310746-10-1
PubChem CID56669626
IUPAC Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;phosphoric acid
Molecular FormulaC26H34Cl2N7O7P
Molecular Weight658.5
Topological Polar Surface Area173
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity773
SMILES
CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl.OP(=O)(O)O
InChI
InChI=1S/C26H31Cl2N7O3.H3O4P/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;1-5(2,3)4/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31);(H3,1,2,3,4)
InChIKey
GUQNHCGYHLSITB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Infigratinib Phosphate
CAS: 1310746-10-1
CID: 56669626
Formula: C26H34Cl2N7O7P
MW: 658.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight658.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass657.1634388
Monoisotopic Mass657.1634388
Topological Polar Surface Area173 Ų
Heavy Atom Count43
Formal Charge0
Complexity773
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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