HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
YX · CS-1859 · SF 1101 · LY240092 · LY 294002 · NSC 697286 · LY294002HCl · LY294002/PI3K
Identifiers & Physical Properties
| CAS No. | 154447-36-6 |
|---|---|
| Molecular formula | C19H17NO3 |
| Average molar mass | 307.3 g/mol |
| Monoisotopic mass | 307.1208434 g/mol |
| SMILES | O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12 |
| InChIKey | CZQHHVNHHHRRDU-UHFFFAOYSA-N |
| PubChem CID | 3973 |
| ChEMBL | CHEMBL98350 |
| ChEBI | CHEBI:65329 |
| EC No. | 960-639-4 |
| DTXSID | DTXSID6042650 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 38.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 463 |
| Drugs | Pharmaceuticals -> Listed in ZINC15 |
| LogP (partition coefficient) | 2.9 |
| Melting point | 183-185℃ |
| Boiling point | 494.6±45.0 °C(Predicted) |
| Density | 1.266 |
| Storage conditions | Sealed in dry,Store in freezer, under -20°C |
| Solubility | DMSO: >5 mg/mLSoluble in DMSO at 5mg/ml. Insoluble in water |
| Physical state | solid |
| pKa (acidity coefficient) | 0.55±0.20(Predicted) |
| Color | white to off-white |
| Stability | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 4 months. |
| InChI | InChI=1S/C19H17NO3/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 |
| InChIKey | CZQHHVNHHHRRDU-UHFFFAOYSA-N |
| SMILES | C1(N2CCOCC2)OC2=C(C3=CC=CC=C3)C=CC=C2C(=O)C=1 |
| CAS DataBase Reference | 154447-36-6 |
| FDA UNII | 31M2U1DVID |
| UNSPSC Code | 12352200 |
| NACRES | NA.77 |
| GHS pictogram | GHS07,GHS08 |
| Signal word | Danger |
| GHS hazard statements | H302-H320-H361-H370-H372-H336-H402 |
| GHS precautionary statements | P501-P273-P260-P270-P202-P201-P271-P264-P280-P337+P313-P305+P351+P338-P308+P311-P301+P312+P330-P304+P340+P312-P403+P233-P405 |
| Safety statements (S) | 24-25 |
| Water hazard class (WGK) | 3 |
| Customs code | 29349990 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (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 Classes and Categories | Acute Tox. 4 (50%) |
| Water hazard class (WGK) | 3 |
| Customs code | 29349990 |
| Signal word | Danger |
| GHS pictogram | GHS07,GHS08 |
| Safety statements (S) | 24-25 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H302-H320-H361-H370-H372-H336-H402 |
| GHS precautionary statements | P501-P273-P260-P270-P202-P201-P271-P264-P280-P337+P313-P305+P351+P338-P308+P311-P301+P312+P330-P304+P340+P312-P403+P233-P405 |
Applications & Uses
Description
LY294002 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.
Uses
LY 294002 Hydrochloride is a highly selective inhibitor of Phosphatidylinositol 3-kinase (PI3K). It is a salt analogue of LY 294002 (L486590).
Uses
A potent blocker of PI 3-kinase/Akt signaling.
Uses
LY 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.