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Gunagratinib

CAT: 0607-BA8947-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8947-1Size:1 mg
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CAS Number
2211082-53-8
Form
A solid
Molecular Formula
C22H25N5O4
Molecular Weight
423.47
Shipping Conditions
Blue ice
Storage Conditions
4°C, desiccated and protect from light.

Chemical Information

Gunagratinib

Gunagratinib is a small molecule pan inhibitor of human fibroblast growth factor receptors (FGFRs), with potential antiangiogenic and antineoplastic activities. Upon oral administration,gunagratinib inhibits the activities of FGFRs, which may result in the inhibition of both tumor angiogenesis and tumor cell proliferation, and the induction of tumor cell death. FGFRs, a family of receptor tyrosine kinases upregulated in various tumor cell types, may be involved in tumor cell differentiation and proliferation, tumor angiogenesis, and tumor cell survival.

CAS Number2211082-53-8
PubChem CID138734912
IUPAC Name3-[2-(3,5-dimethoxyphenyl)ethynyl]-5-(methylamino)-1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]pyrazole-4-carboxamide
Molecular FormulaC22H25N5O4
Molecular Weight423.5
XLogP2.2
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity735
SMILES
CNC1=C(C(=NN1[C@H]2CCN(C2)C(=O)C=C)C#CC3=CC(=CC(=C3)OC)OC)C(=O)N
InChI
InChI=1S/C22H25N5O4/c1-5-19(28)26-9-8-15(13-26)27-22(24-2)20(21(23)29)18(25-27)7-6-14-10-16(30-3)12-17(11-14)31-4/h5,10-12,15,24H,1,8-9,13H2,2-4H3,(H2,23,29)/t15-/m0/s1
InChIKey
QFUIJOBJAQBGDH-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Gunagratinib
CAS: 2211082-53-8
CID: 138734912
Formula: C22H25N5O4
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass423.19065430
Monoisotopic Mass423.19065430
Topological Polar Surface Area112 Ų
Heavy Atom Count31
Formal Charge0
Complexity735
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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