Introduction：Basic information about CAS 156897-06-2|Licofelone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Licofelone |
|---|
| CAS Number | 156897-06-2 | Molecular Weight | 379.879 |
|---|
| Density | 1.2±0.1 g/cm3 | Boiling Point | 539.7±50.0 °C at 760 mmHg |
|---|
| Molecular Formula | C23H22ClNO2 | Melting Point | 162-163ºC |
|---|
| MSDS | / | Flash Point | 280.2±30.1 °C |
|---|
Names
| Name | Licofelone |
|---|
| Synonym | More Synonyms |
|---|
Licofelone BiologicalActivity
| Description | Licofelone (ML-3000) is a dual COX/5-lipoxygenase (5-LOX) inhibitor for the treatment of osteoarthritis. Licofelone (ML-3000) exerts anti-inflammatory and anti-proliferative effects. Licofelone (ML-3000) induces apoptosis, and decreases the production of proinflammatory leukotrienes and prostaglandins[1][2]. |
|---|
| Related Catalog | Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>CancerSignaling Pathways >>Immunology/Inflammation >>COXSignaling Pathways >>Metabolic Enzyme/Protease >>5-Lipoxygenase |
|---|
| References | [1]. Tavolari S, et al. Licofelone, a dual COX/5-LOX inhibitor, induces apoptosis in HCA-7 colon cancer cells through the mitochondrial pathway independently from its ability to affect the arachidonic acid cascade. Carcinogenesis. 2008 Feb;29(2):371-80. [2]. Alvaro-Gracia JM, et al. Licofelone--clinical update on a novel LOX/COX inhibitor for the treatment of osteoarthritis. Rheumatology (Oxford). 2004 Feb;43 Suppl 1:i21-5. |
|---|
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|
| Boiling Point | 539.7±50.0 °C at 760 mmHg |
|---|
| Melting Point | 162-163ºC |
|---|
| Molecular Formula | C23H22ClNO2 |
|---|
| Molecular Weight | 379.879 |
|---|
| Flash Point | 280.2±30.1 °C |
|---|
| Exact Mass | 379.133911 |
|---|
| PSA | 42.23000 |
|---|
| LogP | 6.73 |
|---|
| Vapour Pressure | 0.0±1.5 mmHg at 25°C |
|---|
| Index of Refraction | 1.627 |
|---|
| InChIKey | UAWXGRJVZSAUSZ-UHFFFAOYSA-N |
|---|
| SMILES | CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2C1 |
|---|
| Storage condition | -20°C Freezer |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UY7759650
- CHEMICAL NAME :
- 1H-Pyrrolizine-5-acetic acid, 2,3-dihydro-6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-
- CAS REGISTRY NUMBER :
- 156897-06-2
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C23-H22-Cl-N-O2
- MOLECULAR WEIGHT :
- 379.91
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 45,159,1995 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1100 mg/kg/11D-I
- TOXIC EFFECTS :
- Gastrointestinal - ulceration or bleeding from duodenum
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 44,1329,1994
|
Safety Information
Synonyms
| Licofelone |
| ML-3000 |
| [6-(4-Chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acetic acid |
| [2,2-Dimethyl-6-(4-chlorophenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acetic acid |
| 2-[2-(4-Chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid |
| 1H-Pyrrolizine-5-acetic acid, 6-(4-chlorophenyl)-2,3-dihydro-2,2-dimethyl-7-phenyl- |
