Futibatinib - CAS 1448169-71-8
Catalog:
BB009834
Product Name:
Futibatinib
CAS:
1448169-71-8
Synonyms:
1-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]-1-pyrazolo[3,4-d]pyrimidinyl]-1-pyrrolidinyl]-2-propen-1-one; 1-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
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BB009834
250 mg
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BB009834
1 g
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IUPAC Name: 1-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
Description: Futibatinib is an orally bioavailable, selective and irreversible inhibitor of fibroblast growth factor receptors (FGFRs), displaying antineoplastic activity. It inhibits FGFR-mediated signal transduction and tumor cell proliferation.
Molecular Weight: 418.45
Molecular Formula: C22H22N6O3
Canonical SMILES: COC1=CC(=CC(=C1)C#CC2=NN(C3=C2C(=NC=N3)N)C4CCN(C4)C(=O)C=C)OC
InChI: InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1
InChI Key: KEIPNCCJPRMIAX-HNNXBMFYSA-N
Purity: ≥ 98 %
Appearance: Crystalline solid
LogP: 2.30400
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PMID Publication Date Title Journal
5307 19751101 Reversible uncoupling of the copper and cobalt spin systems in cobalt bovine superoxide dismutase at low pH FEBS letters
Complexity: 723
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Exact Mass: 418.17533859
Formal Charge: 0
Heavy Atom Count: 31
Hydrogen Bond Acceptor Count: 7
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 418.17533859
Rotatable Bond Count: 6
Topological Polar Surface Area: 108
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2
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