Products for Research Use Only
RegisterLogin

Ifebemtinib (tosylate)

CAT: 0804-HY-122844BSize: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-122844BSize:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Ifebemtinib (tosylate) (BI-853520 (tosylate) ; IN-10018 (tosylate) ) is a highly selective PTK2 kinase inhibitor. Ifebemtinib (tosylate) demonstrates anti-tumor activity. Ifebemtinib (tosylate) inhibits FAK autophosphorylation in prostate carcinoma cells. Ifebemtinib (tosylate) can inhibit spheroid formation and orthotopic tumor growth in vivo. Ifebemtinib (tosylate) can be studied in anticancer research such as solid tumors, breast cancer, and malignant pleural mesothelioma[1][2][3][4].
CAS Number
2761021-80-9
Product Name Alternative
BI-853520 (tosylate) ; IN-10018 (tosylate)
UNSPSC
12352005
Target
FAK
Related Pathways
Protein Tyrosine Kinase/RTK
Field of Research
Cancer
Smiles
O=C(C1=C(F)C=C(NC2=NC=C(C(F)(F)F)C(OC3=CC=CC4=C3C(N(C4)C)=O)=N2)C(OC)=C1)NC5CCN(CC5)C.O=S(O)(C6=CC=C(C)C=C6)=O
Molecular Formula
C35H36F4N6O7S
Molecular Weight
760.75
References & Citations
[1]Laszlo, V., et al., (2019) . The FAK inhibitor BI 853520 inhibits spheroid formation and orthotopic tumor growth in malignant pleural mesothelioma. Journal of molecular medicine (Berlin, Germany), 97 (2), 231–242. |[2]Verheijen, R. B., et al., (2019) . Randomized, Open-Label, Crossover Studies Evaluating the Effect of Food and Liquid Formulation on the Pharmacokinetics of the Novel Focal Adhesion Kinase (FAK) Inhibitor BI 853520. Targeted oncology, 14 (1), 67–74.|[3]Tiede, S., et al., (2018) . The FAK inhibitor BI 853520 exerts anti-tumor effects in breast cancer. Oncogenesis, 7 (9), 73. |[4]Marabelle, A., et al., (2020) . Association of tumour mutational burden with outcomes in patients with advanced solid tumours treated with pembrolizumab: prospective biomarker analysis of the multicohort, open-label, phase 2 KEYNOTE-158 study. The Lancet. Oncology, 21 (10), 1353–1365.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-fluoro-5-methoxy-4-[[4-[(2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-methylbenzenesulfonic acid
CAS Number2761021-80-9
PubChem CID178203386
IUPAC Name2-fluoro-5-methoxy-4-[[4-[(2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-methylbenzenesulfonic acid
Molecular FormulaC35H36F4N6O7S
Molecular Weight760.8
Topological Polar Surface Area172
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count53
Formal Charge0
Complexity1160
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2F)NC3=NC=C(C(=N3)OC4=CC=CC5=C4C(=O)N(C5)C)C(F)(F)F)OC
InChI
InChI=1S/C28H28F4N6O4.C7H8O3S/c1-37-9-7-16(8-10-37)34-24(39)17-11-22(41-3)20(12-19(17)29)35-27-33-13-18(28(30,31)32)25(36-27)42-21-6-4-5-15-14-38(2)26(40)23(15)21;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,34,39)(H,33,35,36);2-5H,1H3,(H,8,9,10)
InChIKey
LOKCCATVJFYTFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-fluoro-5-methoxy-4-[[4-[(2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-methylbenzenesulfonic acid
CAS: 2761021-80-9
CID: 178203386
Formula: C35H36F4N6O7S
MW: 760.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight760.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass760.23023133
Monoisotopic Mass760.23023133
Topological Polar Surface Area172 Ų
Heavy Atom Count53
Formal Charge0
Complexity1160
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

Related Products

CatalogName
HY-122844-01Ifebemtinib
HY-122844A-01Ifebemtinib (hydrochloride)
HY-19733-01Lumateperone (tosylate)
HY-18263C-01Elubrixin (tosylate)
HY-100754C-01Ritlecitinib (tosylate)
HY-108477-01TMPyP4 tosylate
HY-112802A-01Ubavitinib (tosylate)
HY-106203CCrinecerfont (tosylate)
HY-139792Besigliptin (tosylate)
HY-119293AK777 (tosylate)

Alternative Products

CatalogName
T211841-01Ifebemtinib tosylate
C01482-1mgIfebemtinib
BUP09160-01Ifebemtinib FA
GTR19241227-01Ifebemtinib hydrochloride
A24190-1Ifebemtinib (BI-853520, IN-10018) 1mg
A24190-10Ifebemtinib (BI-853520, IN-10018) 10mg
A24190-5Ifebemtinib (BI-853520, IN-10018) 5mg
A24190-50Ifebemtinib (BI-853520, IN-10018) 50mg
MM63531-01(+) -Muscarine tosylate
VID62597-01Milademetan tosylate

Popular Products