| Identification | Back Directory | [Name]
4-[[6-METHOXY-2-(4-METHOXYPHENYL)-3-BENZOFURANYL]CARBONYL]BENZONITRILE | [CAS]
176977-56-3 | [Synonyms]
LY320135
4-[6-Methoxy-2-(4-Methoxyphenyl)benzofuran-3-carbonyl]benzonitrile
4-[[6-METHOXY-2-(4-METHOXYPHENYL)-3-BENZOFURANYL]CARBONYL]BENZONITRILE
Benzonitrile,4-[[6-Methoxy-2-(4-Methoxyphenyl)-3-benzofuranyl]carbonyl]-
[6-Methoxy-2-(4-methoxyphenyl)benzo[b]furan-3-yl](4-cyanophenyl)methanone | [Molecular Formula]
C24H17NO4 | [MDL Number]
MFCD00945878 | [MOL File]
176977-56-3.mol | [Molecular Weight]
383.4 |
| Chemical Properties | Back Directory | [Boiling point ]
617.2±55.0 °C(Predicted) | [density ]
1.31±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO: ≥10mg/mL | [form ]
powder | [color ]
orange | [InChI]
1S/C24H17NO4/c1-27-18-9-7-17(8-10-18)24-22(20-12-11-19(28-2)13-21(20)29-24)23(26)16-5-3-15(14-25)4-6-16/h3-13H,1-2H3 | [InChIKey]
RYNSGDFWBJWWSZ-UHFFFAOYSA-N | [SMILES]
COc1ccc(cc1)-c2oc3cc(OC)ccc3c2C(=O)c4ccc(cc4)C#N |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
3 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
| Hazard Information | Back Directory | [Uses]
[6-Methoxy-2-(4-methoxyphenyl)benzo[b]furan-3-yl](4-cyanophenyl)methanone is a selective antagonist for the brain CB1 receptor, having greater than 70-fold higher affinity for the CB1 than the periphe
ral CB2 receptor. [6-Methoxy-2-(4-methoxyphenyl)benzo[b]furan-3-yl](4-cyanophenyl)methanone is a promising lead compound for the further development of selective cannabinoid antagonists of novel struc
ture. | [Definition]
ChEBI: 4-[[6-methoxy-2-(4-methoxyphenyl)-3-benzofuranyl]-oxomethyl]benzonitrile is a member of benzofurans. | [Biochem/physiol Actions]
LY320135 is a potent CB1 receptor antagonist/inverse agonist (Ki = 141 nM) with greater than 70-fold selectivity over CB2 receptors (Ki > 10 μM). Structurally dissimilar from SR 141716A and AM 251. Shows weak binding to both 5-HT2 (Ki = 6.4 μM) and muscarinic receptors (Ki = 2.1 μM) | [IC 50]
CB1: 141 nM (Ki); 5-HT2 Receptor: 6.4 μM (Ki); muscarinic receptor: 2.1 μM (Ki); CB2: >10 μM (Ki) | [storage]
Store at RT |
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