Products for Research Use Only

FGF-401

CAT: 0013-GTR19163517-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163517-03Size:5 mg
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Description
FGF-401 (NVP-FGF401, Roblitinib, FGF401) is a first-in-class, potent, highly selective FGFR4 inhibitor with IC50 of 1.1 nM; shows >1,000-fold selectivity against of panel of 65 kinases and in a kinome of 456 kinases; potently inhibits phospho-FGFR4 in vivo, exhibits anti-tumor activity in s several xenograft animal models.Liver Cancer Phase 2 Clinical (In Vitro) :Roblitinib (FGF-401; Compound Example 83) is a highly selective and potent FGFR4 inhibitor (IC50= 1.9 nM) .Roblitinib shows no activity FGFR1, FGFR2, FGFR3, rat FGFR4, C552A FGFR4 (all IC50>10 uM) .Roblitinib inhibits HUH7 (IC50=12 nM), Hep3B (IC50=9 nM), JHH7 (IC50=9 nM), HEPG2 (IC50>10 uM), JHH (IC50>10 uM) . (In Vivo) :Roblitinib (gavage; 10-100 mg/kg; b.i.d.; for 10 days) with the 30 mg/kg has the maximal level of inhibition of FGFR4-dependent tumor growth in the Hep3B xenograft model.Roblitinib causes blood concentrations dropped below the IC90 threshold level within 8 h of dosing, and controlles tumor growth to the level of stasis at the lowest dose of 10 mg/kg for 6 days.Roblitinib (iv at 1 mg/kg; po at 3 mg/kg) has a T1/2 of 1.4 hours, a CL of 28 mL/min kg, and a Vss of 2.3 L/kg for Male mice (C57BL/6) .Roblitinib (iv at 0.5 mg/kg; po at 3 mg/kg) has a T1/2 of 4.4 hours, a CL of 19 mL/min kg, and a Vss of 3.9 L/kg for male SD rats.
CAS Number
1708971-55-4
Product Name Alternative
NVP-FGF401 | Roblitinib | FGF401
Field of Research
Stem Cell & Developmental Biology
Purity
>98% (HPLC)
Solubility
DMSO: 6 mg/mL (Need Ultrasonic)
Smiles
CN1CC (N (CC2=CC (CCCN3C (NC4=CC (NCCOC) =C (C#N) C=N4) =O) =C3N=C2C=O) CC1) =O
Molecular Formula
C25H30N8O4
Molecular Weight
506.567
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1,8-Naphthyridine-1 (2H) -carboxamide, N-[5-cyano-4-[ (2-methoxyethyl) amino]-2-pyridinyl]-7-formyl-3,4-dihydro-6-[ (4-methyl-2-oxo-1-piperazinyl) methyl]-

Chemical Information

Roblitinib

Roblitinib is an inhibitor of human fibroblast growth factor receptor 4 (FGFR4), with potential antineoplastic activity. Upon administration, roblitinib binds to and inhibits the activity of FGFR4, which leads to an inhibition of tumor cell proliferation in FGFR4-overexpressing cells. FGFR4 is a receptor tyrosine kinase upregulated in certain tumor cells and involved in tumor cell proliferation, differentiation, angiogenesis, and survival.

CAS Number1708971-55-4
PubChem CID118036971
IUPAC NameN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
Molecular FormulaC25H30N8O4
Molecular Weight506.6
XLogP0.6
Topological Polar Surface Area144
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity865
SMILES
CN1CCN(C(=O)C1)CC2=C(N=C3C(=C2)CCCN3C(=O)NC4=NC=C(C(=C4)NCCOC)C#N)C=O
InChI
InChI=1S/C25H30N8O4/c1-31-7-8-32(23(35)15-31)14-18-10-17-4-3-6-33(24(17)29-21(18)16-34)25(36)30-22-11-20(27-5-9-37-2)19(12-26)13-28-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H2,27,28,30,36)
InChIKey
BHKDKKZMPODMIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Roblitinib
CAS: 1708971-55-4
CID: 118036971
Formula: C25H30N8O4
MW: 506.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight506.6
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass506.23900147
Monoisotopic Mass506.23900147
Topological Polar Surface Area144 Ų
Heavy Atom Count37
Formal Charge0
Complexity865
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes