Introduction:Basic information about CAS 1204401-49-9|WQ 1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | WQ 1 |
|---|
| CAS Number | 1204401-49-9 | Molecular Weight | 337.47800 |
|---|
| Density | / | Boiling Point | / |
|---|
| Molecular Formula | C21H23NOS | Melting Point | / |
|---|
| MSDS | / | Flash Point | / |
|---|
Names
| Name | 2-(1-Benzyl-4-piperidinyl)-2,3-dihydro-4H-thiochromen-4-one |
|---|
WQ 1 BiologicalActivity
| Description | σ1 Receptor antagonist-1 is a highly potent and selective sigma 1 receptor antagonist (pKi=10.28). σ1 Receptor antagonist-1 inhibits cell growth, arrests cell cycle at G0/G1 phase and induces apoptosis of MCF-7/ADR cells[1]. |
|---|
| Related Catalog | Research Areas >>CancerResearch Areas >>Neurological DiseaseSignaling Pathways >>GPCR/G Protein >>Sigma Receptor |
|---|
| In Vitro | σ1 Receptor antagonist-1 (compound 9) (10 μM; 48 hours) inhibits cell growth, arrests cell cycle at G0/G1 phase and induces apoptosis of MCF-7/ADR cells[1]. Cell Cycle Analysis[1] Cell Line: MCF-7/ADR, MCF-7 cells Concentration: 10 μM Incubation Time: 48 hours Result: Increased the number of cells in G0/G1 (27.8%) and decreased those in S phase (46.7%), in a sigma 1-dependent manner. It selectively affects the high sigma 1 receptor expressing MCF-7/ADR but not the low sigma 1 receptor expressing MCF-7 cells. |
|---|
| In Vivo | Pretreatment withσ1 Receptor antagonist-1 (1 mg/kg; s.c.) significantly increases the anti-nociceptive effect produces by morphine over the entire time course starting at 60 min[1]. Animal Model: Male CD-1 mice[1] Dosage: 1 mg/kg Administration: S.c. Result: Significantly increased the anti-nociceptive effect produced by morphine over the entire time course starting at 60 min. |
|---|
| References | [1]. Piergentili A, et al. Novel highly potent and selective sigma 1 receptor antagonists related to spipethiane. J Med Chem. 2010;53(3):1261-1269. |
|---|
Chemical & Physical Properties
| Molecular Formula | C21H23NOS |
|---|
| Molecular Weight | 337.47800 |
|---|
| Exact Mass | 337.15000 |
|---|
| PSA | 45.61000 |
|---|
| LogP | 4.58380 |
|---|
| InChIKey | XWMHOCDNGHEUMF-UHFFFAOYSA-N |
|---|
| SMILES | O=C1CC(C2CCN(Cc3ccccc3)CC2)Sc2ccccc21 |
|---|
Safety Information
Customs
| HS Code | 2934999090 |
|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|---|