2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one

HCID 3973CAS 154447-36-6
Substructure searchFind similar structures

Basic information

Standard SMILES
O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12
InChIKey
CZQHHVNHHHRRDU-UHFFFAOYSA-N
Molecular formula
C19H17NO3
Average molar mass
307.3 g/mol
Monoisotopic mass
307.1208434

Overview

LY294002 is a chromone substituted with a phenyl group at position 8 and a morpholine group at position 2. It has a role as a geroprotector, an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and an autophagy inhibitor. It is a member of chromones, an organochlorine compound and a member of morpholines.

Names & identifiers

Preferred name
2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
IUPAC
2-morpholin-4-yl-8-phenylchromen-4-one
English name
LY 294002 Hydrochloride
Molecular formula
C19H17NO3
Molecular weight
307.34

Names & synonyms

154447-36-6LY294002LY 2940022-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-oneLY-2940022-morpholin-4-yl-8-phenylchromen-4-one31M2U1DVIDDTXSID60426504H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl-NSC-697286SF-1101CHEBI:65329
Show more names
YXCS-1859SF 1101LY240092NSC 697286LY294002HClLY294002/PI3KLY 294002, 99+%LY294002 ，S1105
RefChem:458194DTXCID4022650PI3K/BET INHIBITOR LY2940022-morpholino-8-phenyl-4H-chromen-4-one2-morpholin-4-yl-8-phenyl-4H-chromen-4-oneMFCD002708812-(morpholin-4-yl)-8-phenyl-4H-chromen-4-oneUNII-31M2U1DVID

Database identifiers

CAS
154447-36-6
PubChem CID
3973
DTXSID
DTXSID6042650
ChEMBL
CHEMBL98350
ChEBI
CHEBI:65329
UNII
31M2U1DVID
EC Number
960-639-4
Nikkaji
J615.849H

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
38.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
23

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15
LogP2.9

Physicochemical properties

Melting point
183 · 183-185℃
Boiling point
494.6 · 494.6±45.0 °C(Predicted)
Density
1.266 · 1.266
storage temp.
-20 °C · Sealed in dry,Store in freezer, under -20°C
solubility
5 mg/mL · DMSO: >5 mg/mL
form
solid

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

wgk
3
hs_code
29349990
Signal word
Danger
Symbol(GHS)
GHS07,GHS08
safety_code
24-25
Storage Class
10 - Combustible liquids

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications · 4 items

DescriptionLY294002 is a selective phosphatidylinositol 3-kinase (PI3K) inhibitor with a 2.7-fold greater potency than quercetin. LY294002 inhibits purified PI3K with an IC50 of 1.4 μM.

UsesLY 294002 Hydrochloride is a highly selective inhibitor of Phosphatidylinositol 3-kinase (PI3K). It is a salt analogue of LY 294002 (L486590).

UsesA potent blocker of PI 3-kinase/Akt signaling.

UsesLY 294002 is a Phosphatidylinositol 3-kinase (PI3K) inhibitor which has shown to block the formation of tumor tissues in bone marrow cavity an abolish multiple myeloma (MM) induced osteoclast formation and osteolysis in SCID mice.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海波以尔化工有限公司[email protected]
Additional notes · 1 item

DefinitionChEBI: LY294002 is a chromone substituted with a phenyl group at position 8 and a morpholine group at position 2. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor, an autophagy inhibitor and a geroprotector. It is a member of chromones, a member of morpholines and an organochlorine compound.

Related reactions

3 records
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