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Roblitinib (FGF401) - 98%, high purity , CAS No.1708971-55-4, Inhibitor of fibroblast growth factor receptor 4

COA COA
In stock
Item Number
R414051
Grouped product items
SKU Size
Availability
 Price Qty
R414051-1mg
1mg
3
$30.90
R414051-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$127.90
R414051-10mg
10mg
3
$206.90
R414051-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$465.90
R414051-50mg
50mg
3
$682.90
R414051-100mg
100mg
2
$1,157.90
R414051-250mg
250mg
2
$2,605.90
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FGFR Inhibitors

View related series
FGFR (112) fibroblast growth factor receptor 4 Inhibitor (16) Protein Tyrosine Kinase/RTK (1314) Receptor Tyrosine Kinase (1260)

Basic Description

Synonyms A903440 | CCG-269725 | BDBM209325 | FGF 401 | N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-formyl-6-((4-methyl-2-oxopiperazin-1-yl)methyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide | N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-formyl-6-
Specifications & Purity Moligand™, ≥98%
Biochemical and Physiological Mechanisms Roblitinib (FGF401) is an FGFR4-selective inhibitor with an IC50 of 1.1 nM. It binds in a reversible covalent manner to the FGFR4 kinase domain and shows at least 1,000 fold selectivity against of panel of 65 kinases in biochemical assays.FGF-401 is a FGF
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Inhibitor of fibroblast growth factor receptor 4
Product Description

FGF401 is an inhibitor of human fibroblast growth factor receptor 4 (FGFR4), with potential antineoplastic activity. Upon administration, FGF401 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.


Information

Roblitinib (FGF401) Roblitinib (FGF401) is an FGFR4 -selective inhibitor with an IC50 of 1.1 nM. It binds in a reversible covalent manner to the FGFR4 kinase domain and shows at least 1,000 fold selectivity against of panel of 65 kinases in biochemical assays.


Targets

FGFR4 (Cell-free assay) 1.1 nM


In vitro

Roblitinib (FGF401) binds in a reversible covalent manner to the FGFR4 kinase domain and it inhibits FGFR4 with an IC50 of 1.1 nM. In biochemical assays, it shows at least 1,000 fold selectivity against of panel of 65 kinases and in a kinome wide scan, consisting of 456 kinases, FGFR4 was the only target of NVP-FGF401. FGF401 inhibits growth of HCC and gastric cancer cell lines expressing FG19, FGFR4 and βklotho.


In vivo

In xenograft animal models NVP-FGF401 showed a consistent pharmacokinetic/pharmacodynamic (PK/PD) relationship with phospho-FGFR4 over total FGFR4 (p/tFGFR4) levels in tumor robustly inhibited in a dose dependent manner. It has good oral PK properties and remarkable anti-tumor activity in mice bearing HCC tumor xenografts and PDX models that are positive for FGF19, FGFR4 and KLB.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Diazanaphthalenes
Subclass Naphthyridines
Intermediate Tree Nodes Not available
Direct Parent Naphthyridines
Alternative Parents Alpha amino acids and derivatives  Pyridine carboxaldehydes  3-pyridinecarbonitriles  Secondary alkylarylamines  N-methylpiperazines  Aryl-aldehydes  Aminopyridines and derivatives  Imidolactams  Tertiary carboxylic acid amides  Heteroaromatic compounds  Ureas  Trialkylamines  Lactams  Nitriles  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Naphthyridine - Alpha-amino acid or derivatives - 3-pyridinecarbonitrile - 2-pyridine carboxaldehyde - N-alkylpiperazine - N-methylpiperazine - Aryl-aldehyde - Secondary aliphatic/aromatic amine - Aminopyridine - Imidolactam - Pyridine - Piperazine - 1,4-diazinane - Heteroaromatic compound - Tertiary carboxylic acid amide - Urea - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Nitrile - Carbonitrile - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aldehyde - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
External Descriptors Not available

Product Properties

ALogP 0.939
HBD Count 2
Rotatable Bond 8

Associated Targets(Human)

FGFR4 Tclin Fibroblast growth factor receptor 4 (5 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
FGFR2 Tclin Fibroblast growth factor receptor 2 (3405 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Huh-7 (12904 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDA-MB-453 (1139 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SK-HEP1 (1155 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U2OS (164939 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H1299 (3248 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H1581 (382 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hep 3B2 (2332 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Fgfr4 Fibroblast growth factor receptor 4 (138 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BaF3 (4657 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504772848
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504772848
IUPAC Name N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
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
Smiles CN1CCN(C(=O)C1)CC2=C(N=C3C(=C2)CCCN3C(=O)NC4=NC=C(C(=C4)NCCOC)C#N)C=O
Isomeric SMILES CN1CCN(C(=O)C1)CC2=C(N=C3C(=C2)CCCN3C(=O)NC4=NC=C(C(=C4)NCCOC)C#N)C=O
PubChem CID 118036971
Molecular Weight 506.56

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number Certificate Type Date Item
K2210056 Certificate of Analysis Jul 11, 2022 R414051
K2210058 Certificate of Analysis Jul 11, 2022 R414051
K2210036 Certificate of Analysis Jul 11, 2022 R414051
K2210119 Certificate of Analysis Jul 11, 2022 R414051
K2210057 Certificate of Analysis Jul 11, 2022 R414051
L2418311 Certificate of Analysis Jul 11, 2022 R414051

Chemical and Physical Properties

Solubility Solubility (25°C) In vitro DMSO: 6 mg/mL (11.84 mM); Water: Insoluble; Ethanol: Insoluble;
DMSO(mg / mL) Max Solubility 5
DMSO(mM) Max Solubility 9.87049905243209
Water(mg / mL) Max Solubility ＜1
Molecular Weight 506.600 g/mol
XLogP3 0.600
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 8
Exact Mass 506.239 Da
Monoisotopic Mass 506.239 Da
Topological Polar Surface Area 144.000 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 865.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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