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BMS-794833 - 98%, high purity , CAS No.1174046-72-0, Inhibitor of MER proto-oncogene; tyrosine kinase

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 1174046-72-0
Molecular Weight: 468.84
PubChem CID: 44155856
PubChem SID: 504770289

In stock

Item Number

B129768

Grouped product items
SKU	Size	Availability	Price
B129768-1mg	1mg	3	$28.90
B129768-5mg	5mg	3	$116.90
B129768-10mg	10mg	3	$206.90
B129768-25mg	25mg	3	$465.90
B129768-50mg	50mg	2	$800.90

View related series

c-Met/HGFR (76) MER proto-oncogene，tyrosine kinase Inhibitor (14) Protein Tyrosine Kinase/RTK (1314) Receptor Tyrosine Kinase (1260) VEGFR (187)

Basic Description

Synonyms	SCHEMBL13770016 \| J-690046 \| HY-10497 \| AC-32814 \| BDBM50146164 \| BMS 794833 \| 1174046-72-0 \| SMR004702756 \| metatinib \| UNII-SAY8KVM4HU \| 4,4'-Oxydianiline, 97% \| E0X \| 1,1-Oxybisbenzene \| SB16591 \| MLS006010952 \| S2201 \| SCHEMBL700499 \| DTXSID30657662 \|
Specifications & Purity	Moligand™, ≥98%
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 MER proto-oncogene; tyrosine kinase

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Not available
Direct Parent	Aromatic anilides
Alternative Parents	Phenylpyridines Diarylethers Nicotinamides Phenoxy compounds Phenol ethers Aminopyridines and derivatives Dihydropyridines Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Cyclic ketones Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organofluorides Primary amines Organochlorides Organic oxides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aromatic anilide - 3-phenylpyridine - Diaryl ether - Nicotinamide - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Aminopyridine - Dihydropyridine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Hydropyridine - Imidolactam - Pyridine - Vinylogous amide - Heteroaromatic compound - Cyclic ketone - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Azacycle - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organochloride - Organic nitrogen compound - Organofluoride - Primary amine - Hydrocarbon derivative - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MET Tclin Hepatocyte growth factor receptor (1 Activities)

Discover Target: MET

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MERTK Tchem Tyrosine-protein kinase Mer (0 Activities)

Discover Target: MERTK

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KDR Tclin Vascular endothelial growth factor receptor 2 (1 Activities)

Discover Target: KDR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MST1R Tchem Macrophage-stimulating protein receptor (2327 Activities)

Discover Target: MST1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MET Tclin Hepatocyte growth factor receptor (10718 Activities)

Discover Target: MET

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)

Discover Target: FLT3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)

Discover Target: YES1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AXL Tchem Tyrosine-protein kinase receptor UFO (3469 Activities)

Discover Target: AXL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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	504770289
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770289
IUPAC Name	N-[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
INCHI	InChI=1S/C23H15ClF2N4O3/c24-20-19(7-8-29-22(20)27)33-18-6-5-14(9-17(18)26)30-23(32)16-11-28-10-15(21(16)31)12-1-3-13(25)4-2-12/h1-11H,(H2,27,29)(H,28,31)(H,30,32)
InChIKey	PDYXPCKITKHFOZ-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=CNC=C(C2=O)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F)F
Isomeric SMILES	C1=CC(=CC=C1C2=CNC=C(C2=O)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F)F
Alternate CAS	1174046-72-0
MeSH Entry Terms	BMS794833;N-(4-((2-amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-5-(4-fluorophenyl)-4-oxo-1,4-dihydropyridine-3-carboxamide
Molecular Weight	468.84
Reaxy-Rn	19432284
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19432284&ln=

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.

5 results found

Lot Number	Certificate Type	Date	Item
L2122362	Certificate of Analysis	Oct 07, 2023	B129768
L2122363	Certificate of Analysis	Oct 07, 2023	B129768
L2122313	Certificate of Analysis	Oct 07, 2023	B129768
L2122361	Certificate of Analysis	Oct 07, 2023	B129768
L2122360	Certificate of Analysis	Oct 07, 2023	B129768

Chemical and Physical Properties

Solubility	DMSO 94 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
Molecular Weight	468.800 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	468.08 Da
Monoisotopic Mass	468.08 Da
Topological Polar Surface Area	106.000 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	803.000
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

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