CAS Number129722-12-9
Synonyms7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone; Abilify; 7-{4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy}-3,4-dihydro-2(1H)-quinolinone; 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one; UNII-82VFR53I78; 7-{4-4-(2,3-dichlorophenyl)piperazin-1-ylbutoxy}-3,4-dihydroquinolin-2(1H)-one; Aripiprazole; 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one; EINECS 200-835-2; MFCD00892072
Molecular FormulaC23H27Cl2N3O2
Molecular Weight448.39
Purity99.00%
Density1.3±0.1 g/cm3
Boiling Point646.2±55.0 °C at 760 mmHg
Melting Point139°C
AppearanceColorless flaky crystalline solid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 129722-12-9 |
| Catalog No. | 2A-9051984 |
| Chinese Name | 阿立哌唑 |
| Synonyms | 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone; Abilify; 7-{4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy}-3,4-dihydro-2(1H)-quinolinone; 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one; UNII-82VFR53I78; 7-{4-4-(2,3-dichlorophenyl)piperazin-1-ylbutoxy}-3,4-dihydroquinolin-2(1H)-one; Aripiprazole; 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one; EINECS 200-835-2; MFCD00892072 |
| Molecular Formula | C23H27Cl2N3O2 |
| Molecular Weight | 448.39 |
| Purity | 99.00 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 646.2±55.0 °C at 760 mmHg |
| Melting Point | 139°C |
| Appearance | Colorless flaky crystalline solid |
| Water Solubility | Water solubility: insoluble; water solubility: 0.0 |
| Storage Condition | -20°C Freezer |
| Application | Aripiprazole (Abilify) is a partial agonist of human 5-HT1A receptor with Ki of 4.2 nM. |
| HTC | 2933790090 |
| SMILES | Clc1c(cccc1N2CCN(CC2)CCCCOc3cc4c(cc3)CCC(=O)N4)Cl |
| InChI | 1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29) |
| InChI Key | CEUORZQYGODEFX-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | transportation |
| MSDS | msds/51984_1_129722_12_9.pdf |
| Bioactivity | Aripiprazole(Abilify) is a human 5-HT1A receptor partial agonist with a Ki of 4.2 nM. IC50 Value: 4.2 nM(Ki)Target: 5-HT ReceptorAripiprazole is an atypical antipsychotic medication used for the treatment of schizophrenia. It has also recently received FDA approval for the treatment of acute manic and mixed episodes associated with bipolar disorder. Aripiprazole appears to mediate its antipsychotic effects primarily by partial agonism at the D2 receptor. In addition to partial agonist activity at the D2 receptor, aripiprazole is also a partial agonist at the 5-HT1A receptor, and like the other atypical antipsychotics, aripiprazole displays an antagonist profile at the 5-HT2A receptor. Aripiprazole has moderate affinity for histamine and alpha adrenergic receptors, and no appreciable affinity for cholinergic muscarinic receptors. Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Research Areas >> Neurological Disease References [1]. Stip E, Tourjman V. et al. Aripiprazole in schizophrenia and schizoaffective disorder: A review. Clin Ther. 2010;32 Suppl 1:S3-20. [2]. Burris KD, Molski TF, Xu C et al. Aripiprazole, a novel antipsychotic, is a high-affinity partial agonist at human dopamine D2 receptors. J Pharmacol Exp Ther. 2002 Jul;302(1):381-9. [3]. Swainston Harrison T, Perry CM. Aripiprazole: a review of its use in schizophrenia and schizoaffective disorder. Drugs. 2004;64(15):1715-36. [4]. Nagasaka Y, Oda K, Iwatsubo T, Kawamura A, Usui T.Nagasaka Y, Oda K, Iwatsubo T, Kawamura A, Usui T.Effects of aripiprazole and its active metabolite dehydroaripiprazole on the activities of drug efflux transporters expressed both in the intestine and at the blood-brain barrier.Biopharm Drug Dispos. 2012 Jul 27. doi: 10.1002/bdd.1801. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 646.2±55.0 °C at 760 mmHg Melting Point 139°C Molecular Formula C23H27Cl2N3O2 Molecular Weight 448.385 Flash Point 344.6±31.5 °C Exact Mass 447.148041 PSA 44.81000 LogP 5.59 Vapour Pressure 0.0±1.9 mmHg at 25°C Index of Refraction 1.593 InChIKey CEUORZQYGODEFX-UHFFFAOYSA-N SMILES O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1 Storage condition -20°C Freezer |
| Use of | Aripiprazole(Abilify) is a human 5-HT1A receptor partial agonist with a Ki of 4.2 nM. IC50 Value: 4.2 nM(Ki)Target: 5-HT ReceptorAripiprazole is an atypical antipsychotic medication used for the treatment of schizophrenia. It has also recently received FDA approval for the treatment of acute manic and mixed episodes associated with bipolar disorder. Aripiprazole appears to mediate its antipsychotic effects primarily by partial agonism at the D2 receptor. In addition to partial agonist activity at the D2 receptor, aripiprazole is also a partial agonist at the 5-HT1A receptor, and like the other atypical antipsychotics, aripiprazole displays an antagonist profile at the 5-HT2A receptor. Aripiprazole has moderate affinity for histamine and alpha adrenergic receptors, and no appreciable affinity for cholinergic muscarinic receptors. Properties Articles49 Name aripiprazole Synonym More Synonyms Aripiprazole Biological Activity Description Aripiprazole(Abilify) is a human 5-HT1A receptor partial agonist with a Ki of 4.2 nM. IC50 Value: 4.2 nM(Ki)Target: 5-HT ReceptorAripiprazole is an atypical antipsychotic medication used for the treatment of schizophrenia. It has also recently received FDA approval for the treatment of acute manic and mixed episodes associated with bipolar disorder. Aripiprazole appears to mediate its antipsychotic effects primarily by partial agonism at the D2 receptor. In addition to partial agonist activity at the D2 receptor, aripiprazole is also a partial agonist at the 5-HT1A receptor, and like the other atypical antipsychotics, aripiprazole displays an antagonist profile at the 5-HT2A receptor. Aripiprazole has moderate affinity for histamine and alpha adrenergic receptors, and no appreciable affinity for cholinergic muscarinic receptors. Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Research Areas >> Neurological Disease References [1]. Stip E, Tourjman V. et al. Aripiprazole in schizophrenia and schizoaffective disorder: A review. Clin Ther. 2010;32 Suppl 1:S3-20. [2]. Burris KD, Molski TF, Xu C et al. Aripiprazole, a novel antipsychotic, is a high-affinity partial agonist at human dopamine D2 receptors. J Pharmacol Exp Ther. 2002 Jul;302(1):381-9. [3]. Swainston Harrison T, Perry CM. Aripiprazole: a review of its use in schizophrenia and schizoaffective disorder. Drugs. 2004;64(15):1715-36. Chemical & Physical Properties Exact Mass 447.148041 PSA 44.81000 Index of Refraction 1.593 InChIKey CEUORZQYGODEFX-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 9.0% Ordinary tariff: 20.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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