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QL-IX-55 , CAS No.1223002-54-7

COA

Cas Number: 1223002-54-7
Molecular Weight: 450.39
PubChem CID: 51350805

In stock

Item Number

Q128082

Grouped product items
SKU	Size	Availability	Price	Qty
Q128082-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,845.90

View related series

mTOR (145) PI3K/Akt/mTOR (765)

Basic Description

Synonyms	HY-15281 \| PD118040 \| CS-0703 \| 1223002-54-7 \| BDBM50341210 \| AKOS030526331 \| SCHEMBL6877128 \| MXRMEHBVJBSIPI-UHFFFAOYSA-N \| 9-(6-aminopyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one \| DTXSID10679908 \| 9-(6-Aminopyridin
Biochemical and Physiological Mechanisms	The functional target of QL-IX-55 is the ATP-binding site of TOR2 as evidenced by the discovery of resistant alleles of TOR2 through rational design and unbiased selection strategies. QL-IX-55 is capable of potently inhibiting both TOR co
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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Naphthyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Naphthyridines
Intermediate Tree Nodes	Not available
Direct Parent	Naphthyridines
Alternative Parents	Trifluoromethylbenzenes Quinolines and derivatives Pyridinones Aminopyridines and derivatives Fluorobenzenes Aryl fluorides Imidolactams Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds Primary amines Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Trifluoromethylbenzene - Naphthyridine - Quinoline - Aminopyridine - Fluorobenzene - Halobenzene - Pyridinone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Lactam - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Primary amine - Organic nitrogen compound - Alkyl fluoride - 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
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)

MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

Discover Target: MTOR

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

Associated Targets(non-human)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

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

IUPAC Name	9-(6-aminopyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
INCHI	InChI=1S/C24H14F4N4O/c25-19-5-4-16(10-18(19)24(26,27)28)32-22(33)8-3-15-12-30-20-6-1-13(9-17(20)23(15)32)14-2-7-21(29)31-11-14/h1-12H,(H2,29,31)
InChIKey	MXRMEHBVJBSIPI-UHFFFAOYSA-N
Smiles	C1=CC2=NC=C3C=CC(=O)N(C3=C2C=C1C4=CN=C(C=C4)N)C5=CC(=C(C=C5)F)C(F)(F)F
Isomeric SMILES	C1=CC2=NC=C3C=CC(=O)N(C3=C2C=C1C4=CN=C(C=C4)N)C5=CC(=C(C=C5)F)C(F)(F)F
PubChem CID	51350805
Molecular Weight	450.39

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO
Molecular Weight	450.400 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	450.11 Da
Monoisotopic Mass	450.11 Da
Topological Polar Surface Area	72.100 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	761.000
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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