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

Catalog	Size	Price	Stock	Quantity
BB009834	250 mg	$1099	In stock
BB009834	1 g	$1999	In stock

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Technical Data

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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WO-2021206167-A1	Cancer therapy using 3,5-disubstituted benzene alkynyl compound and mek inhibitor	20200410

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