OPC 21268
Modify Date: 2024-01-10 06:00:50
OPC 21268 structure
|
Common Name | OPC 21268 | ||
|---|---|---|---|---|
| CAS Number | 131631-89-5 | Molecular Weight | 449.542 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 772.5±60.0 °C at 760 mmHg | |
| Molecular Formula | C26H31N3O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 421.0±32.9 °C | |
Use of OPC 21268OPC-21268 is an orally effective, nonpeptide, vasopressin V1 receptor antagonist with an IC50 of 0.4 μM. |
| Name | N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]acetamide |
|---|---|
| Synonym | More Synonyms |
| Description | OPC-21268 is an orally effective, nonpeptide, vasopressin V1 receptor antagonist with an IC50 of 0.4 μM. |
|---|---|
| Related Catalog | |
| Target |
IC50: 0.4 μM (vasopressin V1) Ki: 0.14 μM (vasopressin V1)[1] |
| In Vitro | The concentration of OPC-21268 that displaces 50% of specific AVP binding (IC50) is 0.4 μM for VI receptors and 100 μM for V2 receptors. The inhibition constant (Ki) of OPC-21268 for V1 receptors (0.14 μM)[1]. |
| In Vivo | OPC-21268 competitively and specifically antagonizes pressor responses to AVP in vivo. Oral administration of OPC-21268 (10 mg/kg) inhibits the vasoconstriction induced by exogenous AVP in a dose- and time-dependent manner and the effect lasts for more than 8 hours at 30 mg/kg[1]. OPC-21268 predominantly exerts a protective effect in areas where the maximum amount of blood-brain barrier breakdown occurs, and it is effective in the treatment of cold-induced vasogenic brain edema. OPC-21268 treatment at the dosages of 200 and 300 mg/kg significantly reduces brain water content in both hemispheres. Swelling of the traumatized hemispheres is also significantly reduced at 200 and 300 mg/kg dosages[2]. |
| Kinase Assay | Liver and kidney plasma membranes are prepared from Sprague-Dawley rats of 300 to 400 g. Various concentrations of AVP and OPC-21268 are incubated with 50 μg of liver membranes or 600 μg of kidney membranes in 0.25 ml of tris buffer (100 mM, pH 8.0) containing 5 mM MgCI2, 1 mM EDTA, 0.1% bovine serum albumin, and 1.9 nM [3H]AVP (53.6 Ci/mmol) in the liver or 3.8 nM [3H]AVP in the kidney. After incubation for 10 min at 37°C (liver membranes) or 4 hours at 4°C (kidney membranes), 3 mL of ice-cold Tris buffer (100 mM, pH 8.0) is added to each assay tube, and bound and free ligands are separated by filtration through a glass microfiber filter and then washed three times. Specific binding is determined by subtraction of the nonspecific binding, which is measured in the presence of 1 μM unlabeled AVP[1]. |
| Animal Admin | Rats[1] Male Sprague-Dawley rats, 300 to 400 g, are injected with OPC-21268 (0.1, 0.3, 1 mg/kg). OPC-21268 is given 2 min before the injection of AVP at 30 mU/kg i.v., angiotensin II at 0.3 μg/kg i.v., and noradrenaline at 3 μg/kg i.v.[1]. |
| References |
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 772.5±60.0 °C at 760 mmHg |
| Molecular Formula | C26H31N3O4 |
| Molecular Weight | 449.542 |
| Flash Point | 421.0±32.9 °C |
| Exact Mass | 449.231445 |
| PSA | 82.44000 |
| LogP | 2.22 |
| Vapour Pressure | 0.0±2.6 mmHg at 25°C |
| Index of Refraction | 1.596 |
|
SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: OPC-21268 HYDRATE REACH No.: A registration number is not available for this substance as the substance or its uses are exempted from registration, the annual tonnage does not require a registration or the registration is envisaged for a later registration deadline.
SECTION 2: Hazards identification Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 Acute toxicity, Oral (Category 4), H302 Acute aquatic toxicity (Category 1), H400 For the full text of the H-Statements mentioned in this Section, see Section 16. Classification according to EU Directives 67/548/EEC or 1999/45/EC Xn, N Harmful, Dangerous for the R22, R50 environment For the full text of the R-phrases mentioned in this Section, see Section 16. Label elements Labelling according Regulation (EC) No 1272/2008 Pictogram Signal wordWarning Hazard statement(s) Harmful if swallowed. Very toxic to aquatic life. Precautionary statement(s) Avoid release to the environment. Supplemental Hazardnone Statements Other hazards - none SECTION 3: Composition/information on ingredients Substances Synonyms: 1-{1-[4(3-acetylaminopropoxy)benzoyl]-4-piperidyl}-3,4-dihydro-2(1H)- quinolinone hydrate N-[3-[4-[[4-(3,4-dihydro-2-oxo-1(2H)-quinolinyl)-1- piperidinyl]carbonyl]phenoxy]propyl]-acetamide hydrate Formula: C26H31N3O4 · xH2O Molecular Weight: 449,54 g/mol Hazardous ingredients according to Regulation (EC) No 1272/2008 ComponentClassificationConcentration OPC-21268 HYDRATE Acute Tox. 4; Aquatic Acute 1; - H302, H400 Hazardous ingredients according to Directive 1999/45/EC ComponentClassificationConcentration OPC-21268 HYDRATE Xn, N, R22 - R50- For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16 SECTION 4: First aid measures Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Flush eyes with water as a precaution. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Most important symptoms and effects, both acute and delayed The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11 Indication of any immediate medical attention and special treatment needed no data available SECTION 5: Firefighting measures Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides, nitrogen oxides (NOx) Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available SECTION 6: Accidental release measures Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. SECTION 7: Handling and storage Precautions for safe handling Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire protection. For precautions see section 2.2. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature: 2 - 8 °C Specific end use(s) A part from the uses mentioned in section 1.2 no other specific uses are stipulated SECTION 8: Exposure controls/personal protection Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Personal protective equipment Eye/face protection Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Control of environmental exposure Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. SECTION 9: Physical and chemical properties Information on basic physical and chemical properties a) AppearanceForm: solid b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and no data available boiling range g) Flash pointno data available h) Evapouration rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative densityno data available n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available SECTION 10: Stability and reactivity Reactivity no data available Chemical stability Stable under recommended storage conditions. Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available In the event of fire: see section 5 SECTION 11: Toxicological information Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitisation no data available Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Additional Information RTECS: Not available To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. SECTION 12: Ecological information Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment PBT/vPvB assessment not available as chemical safety assessment not required/not conducted Other adverse effects Very toxic to aquatic life. SECTION 13: Disposal considerations Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Contaminated packaging Dispose of as unused product. SECTION 14: Transport information UN number ADR/RID: 3077IMDG: 3077IATA: 3077 UN proper shipping name ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (OPC-21268 HYDRATE) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (OPC-21268 HYDRATE) IATA:Environmentally hazardous substance, solid, n.o.s. (OPC-21268 HYDRATE) Transport hazard class(es) ADR/RID: 9IMDG: 9IATA: 9 Packaging group ADR/RID: IIIIMDG: IIIIATA: III Environmental hazards ADR/RID: yesIMDG Marine pollutant: yesIATA: yes Special precautions for user Further information EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination packagings containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids. SECTION 15: Regulatory information This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment Xn Harmful R22 Harmful if swallowed. R50 Very toxic to aquatic organisms. Further information only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any SECTION 16 - ADDITIONAL INFORMATION N/A |
| N-[3-(4-{[4-(2-Oxo-3,4-dihydro-1(2H)-quinolinyl)-1-piperidinyl]carbonyl}phenoxy)propyl]acetamide |
| Fuscoside |
| Acetamide, N-[3-[4-[[4-(3,4-dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl]carbonyl]phenoxy]propyl]- |
| N-[3-(4-{[4-(2-Oxo-3,4-dihydroquinolin-1(2H)-yl)piperidin-1-yl]carbonyl}phenoxy)propyl]acetamide |
| OPC-21268 |