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Irpagratinib

CAT: 0804-HY-156618-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-156618-01Size:5 mg
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Description
Irpagratinib (ABSK011) is an orally active FGFR4 inhibitor (IC50[1][2].
CAS Number
2230974-62-4
Product Name Alternative
ABSK011
UNSPSC
12352005
Target
FGFR
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/irpagratinib.html
Purity
99.63
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
FC(C(OC)=CC(OC)=C1F)=C1C2=CC(C=N3)=C(C(N4CC(C)(C4)OC)=N2)N=C3N[C@H]5[C@H](CCOC5)NC(C=C)=O
Molecular Formula
C28H32F2N6O5
Molecular Weight
570.59
References & Citations
[1]Chen Z. Abstract LB-272: Discovery and characterization of a novel FGFR4 Inhibitor for the treatment of hepatocellular carcinoma[J]. Cancer Research, 2018, 78 (13_Supplement) : LB-272-LB-272.|[2]Zhang N, et al. Selective FGFR4 inhibitor Irpagratinib (ABSK011) exhibits broad synergistic and combinatory anti-tumor effects with other therapeutic agents in preclinical HCC models]. Cancer Research, 2024, 84 (6_Supplement) : 1228-1228.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Irpagratinib

Irpagratinib (ABSK011) is a highly selective inhibitor of fibroblast growth factor receptor (FGFR) 4.

CAS Number2230974-62-4
PubChem CID135181440
IUPAC NameN-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide
Molecular FormulaC28H32F2N6O5
Molecular Weight570.6
XLogP2.9
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity899
SMILES
CC1(CN(C1)C2=C3C(=CC(=N2)C4=C(C(=CC(=C4F)OC)OC)F)C=NC(=N3)N[C@@H]5COCC[C@@H]5NC(=O)C=C)OC
InChI
InChI=1S/C28H32F2N6O5/c1-6-21(37)32-16-7-8-41-12-18(16)34-27-31-11-15-9-17(22-23(29)19(38-3)10-20(39-4)24(22)30)33-26(25(15)35-27)36-13-28(2,14-36)40-5/h6,9-11,16,18H,1,7-8,12-14H2,2-5H3,(H,32,37)(H,31,34,35)/t16-,18+/m0/s1
InChIKey
PGRHEHZIRYNZDV-FUHWJXTLSA-N
Chemical Structure
2D Structure
2D structure of Irpagratinib
CAS: 2230974-62-4
CID: 135181440
Formula: C28H32F2N6O5
MW: 570.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight570.6
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass570.24022447
Monoisotopic Mass570.24022447
Topological Polar Surface Area120 Ų
Heavy Atom Count41
Formal Charge0
Complexity899
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BUP17441-01Irpagratinib
A24165-5Irpagratinib (ABSK011) 5mg
A24165-50Irpagratinib (ABSK011) 50mg
A24165-10Irpagratinib (ABSK011) 10mg
A24165-100Irpagratinib (ABSK011) 100mg

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