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PI3K/mTOR Inhibitor-2 - 98%, high purity , CAS No.1848242-58-9

COA

Grade & Purity:

≥98%

Cas Number: 1848242-58-9
Molecular Weight: 478.86
PubChem CID: 118616775

In stock

Item Number

P649193

Grouped product items
SKU	Size	Availability	Price
P649193-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$110.90
P649193-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$300.90
P649193-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$490.90
P649193-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,400.90

View related series

mTOR (145) PI3K (243) PI3K/Akt/mTOR (765)

Basic Description

Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	PI3K/mTOR Inhibitor-2 is a potent dual pan- PI3K / mTOR inhibitor with IC 50 s of 3.4/34/16/1 nM for PI3Kα / PI3Kβ / PI3Kδ / PI3Kγ and 4.7 nM for mTOR. Antitumor activity.
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.
Product Description	PI3K/mTOR Inhibitor-2 is a potent dual pan- PI3K / mTOR inhibitor with IC 50 s of 3.4/34/16/1 nM for PI3Kα / PI3Kβ / PI3Kδ / PI3Kγ and 4.7 nM for mTOR Antitumor activity In Vitro PI3K/mTOR Inhibitor-2 (Compound 31) inhibits p-AKT and p-p70s6k in MCF-7 cells with IC 50 s of 11.6 and 89.2 nM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:PI3Kα 3.4 nM (IC 50 ) PI3Kβ 34 nM (IC 50 ) PI3Kδ 16 nM (IC 50 ) PI3Kγ 1 nM (IC 50 ) mTOR 4.7 nM (IC 50 )

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Bipyridines and oligopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Bipyridines and oligopyridines
Intermediate Tree Nodes	Not available
Direct Parent	Bipyridines and oligopyridines
Alternative Parents	Pyridopyrimidines Benzenesulfonamides Benzenesulfonyl compounds Pyrimidones Halopyrimidines Fluorobenzenes Alkyl aryl ethers Organosulfonamides Aryl fluorides Aryl chlorides Heteroaromatic compounds Aminosulfonyl compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Bipyridine - Pyridopyrimidine - Benzenesulfonamide - Benzenesulfonyl group - Pyrimidone - Halopyrimidine - Halobenzene - Fluorobenzene - Alkyl aryl ether - Benzenoid - Organosulfonic acid amide - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
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)

PIK3CG Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (1 Activities)

Discover Target: PIK3CG

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

PIK3CA Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (2 Activities)

Discover Target: PIK3CA

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

MTOR Tclin Serine/threonine-protein kinase mTOR (1 Activities)

Discover Target: MTOR

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

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

PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)

Discover Target: PIK3CG

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

PIK3R1 Tchem PI3-kinase p110-delta/p85-alpha (1508 Activities)

Discover Target: PIK3R1

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

PIK3R1 Tchem PI3K p110 beta/p85 alpha (919 Activities)

Discover Target: PIK3R1

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

Mus musculus (284745 Activities)

Explore this target

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	N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxypyridin-3-yl]-2,4-difluorobenzenesulfonamide
INCHI	InChI=1S/C20H13ClF2N4O4S/c1-31-19-16(26-32(29,30)17-4-3-13(22)7-15(17)23)6-12(8-25-19)11-2-5-18-24-9-14(21)20(28)27(18)10-11/h2-10,26H,1H3
InChIKey	LQTYGHZRBUVRMR-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=N1)C2=CN3C(=NC=C(C3=O)Cl)C=C2)NS(=O)(=O)C4=C(C=C(C=C4)F)F
Isomeric SMILES	COC1=C(C=C(C=N1)C2=CN3C(=NC=C(C3=O)Cl)C=C2)NS(=O)(=O)C4=C(C=C(C=C4)F)F
PubChem CID	118616775
Molecular Weight	478.86

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 8.33 mg/mL (17.40 mM; Need ultrasonic)
Molecular Weight	478.900 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	478.031 Da
Monoisotopic Mass	478.031 Da
Topological Polar Surface Area	109.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	994.000
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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