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Roblitinib

CAT: 0127-BUP05090-06Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05090-06Size:500 mg
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CAS Number
1708971-55-4
Synonyms
FGF-401
Purity
=95%
Smiles
COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N

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
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View on PubChemRaw 3D data
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

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A19431-50Roblitinib 50mg
A19431-10Roblitinib 10mg
A19431-2Roblitinib 2mg

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