LY-294,002 hydrochloride - ≥98%(HPLC) , CAS No.934389-88-5

CAS: 934389-88-5 Cat. No.: L171289 Molecular Weight: 343.8

GRADE & PURITY ≥98%(HPLC)

Synonyms

EX-A1710 | 2-morpholin-4-yl-8-phenylchromen-4-one,hydrochloride | AS-58350 | LP00710 | acide trans-2-tetradecenoique | 2-(4-Morpholinyl)-8-phenyl-4H-1-ben zopyran-4-one hydrochloride | AMY40922 | DTXSID50474691 | NCGC00094060-02 | CU-00000000012-1 | LY294

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

LY-294,002 hydrochloride is a derivative of the flavonoid, quercetin and elicits higher inhibition on the enzyme phosphoinositide 3-kinase (PI3K). LY-294,002 inhibits nuclear factor kappa B signaling in macrophages. It elevates expression of autophagosomal protein LC3 and promotes apoptosis in gastric and nasopharyngeal cancer cells. LY-294,002 modulates action potential repolarization and improves myocyte contractility.

Product Application：

LY-294,002 hydrochloride has been used in the inhibition of:

phosphoinositide 3-kinase (PI3K) in human lung cancer cell line

autophagy in mesenchymal stem cells (MSCs).

serine/threonine-specific protein kinase (AKT) signaling in fibroblasts and cardiac cells.

Specifications

Synonyms

EX-A1710 | 2-morpholin-4-yl-8-phenylchromen-4-one, hydrochloride | AS-58350 | LP00710 | acide trans-2-tetradecenoique | 2-(4-Morpholinyl)-8-phenyl-4H-1-ben zopyran-4-one hydrochloride | AMY40922 | DTXSID50474691 | NCGC00094060-02 | CU-00000000012-1 | LY294

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Prototypical PI 3-kinase inhibitor (IC50values are 0.31, 0.73, 1.06 and 6.60μM for PI 3-Kβ, PI 3-Kα, PI 3-Kδand PI 3-Kγrespectively). Also inhibits other kinases including, CK2, mTOR, PLK1, PIM1 and PIM3. Inhibits proliferation and induces apoptosis in hu

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488197808
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197808
• Canonical Smiles: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4.Cl
• IUPAC Name: 2-morpholin-4-yl-8-phenylchromen-4-one;hydrochloride
• InChIKey: OQZQSRICUOWBLW-UHFFFAOYSA-N
• INCHI: 1S/C19H17NO3.ClH/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14;/h1-8,13H,9-12H2;1H
• Isomeric SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4.Cl
• WGK Germany: 3
• Molecular Weight: 343.8
• Reaxy-Rn: 10734014
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10734014&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Dialkylarylamines Pyranones and derivatives Morpholines Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Dialkylarylamine - Pyranone - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Dialkyl ether - Ether - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• External Descriptors: Not available

Data sources

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)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

Discover Target: MPHOSPH8

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: None, Max Conc. mM: 25; Solvent:ethanol, Max Conc. mg/mL: None, Max Conc. mM: 5
• Molecular Weight: 343.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 343.098 Da
• Monoisotopic Mass: 343.098 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 463.000
• 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: 2

XLogP3