CAS Number133454-47-4
Synonyms1-(4-{3-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]propoxy}-3-methoxyphenyl)ethanone; 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone; Zomaril; iloperidone; 1-(4-(3-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-methoxyphenyl)ethanone; Fanapta; 1-(4-{3-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethanone; Fanapt
Molecular FormulaC24H27FN2O4
Molecular Weight426.48
Purity≥98 (HPLC)%
Density1.2±0.1 g/cm3
Boiling Point593.7±50.0 °C at 760 mmHg
Melting Point118-120°C
Appearancepowder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 133454-47-4 |
| Catalog No. | 2A-9010907 |
| Chinese Name | 伊潘立酮 |
| Synonyms | 1-(4-{3-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]propoxy}-3-methoxyphenyl)ethanone; 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone; Zomaril; iloperidone; 1-(4-(3-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-methoxyphenyl)ethanone; Fanapta; 1-(4-{3-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethanone; Fanapt |
| Molecular Formula | C24H27FN2O4 |
| Molecular Weight | 426.48 |
| Purity | ≥98 (HPLC) |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 593.7±50.0 °C at 760 mmHg |
| Melting Point | 118-120°C |
| Appearance | powder |
| Water Solubility | DMSO: soluble5mg/mL, clear |
| Storage Condition | -20°C Freezer, Under Inert Atmosphere |
| Application | Iloperidone (HP 873) is a D2/5-HT2 receptor antagonist that can act on schizophrenia. |
| HTC | 2934999090 |
| PubChem ID | 329825945 |
| MDL Number | MFCD00866688 |
| SMILES | Fc1cc2[o]nc(c2cc1)C3CCN(CC3)CCCOc4c(cc(cc4)C(=O)C)OC |
| InChI | 1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3 |
| InChI Key | XMXHEBAFVSFQEX-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Hazard Symbols | Transport |
| MSDS | msds/10907_1_133454_47_4.pdf |
| Bioactivity | Iloperidone(HP 873) is a D2/5-HT2 receptor antagonist, which is an atypical antipsychotic for the treatment of schizophrenia symptoms.IC50 value:Target: 5-HT receptor; D2 receptorIloperidone (HP 873) is a compound currently in clinical trials for the treatment of schizophrenia. Iloperidone displays affinity for dopamine D2 receptors and for 5-HT2A receptors and has a variety of in vivo activities suggestive of an atypical antipsychotic. Iloperidone displayed higher affinity for the dopamine D3 receptor (Ki = 7.1 nM) than for the dopamine D4 receptor (Ki = 25 nM). Iloperidone displayed high affinity for the 5-HT6 and 5-HT7 receptors (Ki = 42.7 and 21.6 nM, respectively), and was found to have higher affinity for the 5-HT2A (Ki = 5.6 nM) than for the 5-HT2C receptor (Ki = 42.8 nM) [1]. Iloperidone was eliminated slowly, with a mean t1/2 of 13.5 to 14.0 hours. Coadministration with food did not significantly affect AUC, tmax, or Cmax. These results indicate that the rate of iloperidone's absorption is decreased, but the overall bioavailability is unchanged, when the drug is taken with food. Orthostatic hypotension, dizziness, and somnolence were the most commonly reported adverse events [2]. Iloperidone pharmacokinetics and pharmacodynamics are presented herein, together with an evaluation of clinical safety and efficacy results [3].Clinical indications: Post traumatic stress disorder; Schizophrenia Toxicity: Commonly observed adverse reactions (incidence ≥5% and two-fold greater than placebo) were: dizziness, dry mouth, fatigue, nasal congestion, orthostatic hypotension, somnolence, tachycardia, and weight increased. Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Signaling Pathways >> GPCR/G Protein >> Dopamine Receptor Signaling Pathways >> Neuronal Signaling >> Dopamine Receptor Research Areas >> Neurological Disease References [1]. Kongsamut, S., et al., Iloperidone binding to human and rat dopamine and 5-HT receptors. Eur J Pharmacol, 1996. 317(2-3): p. 417-23. [2]. Sainati, S.M., et al., Safety, tolerability, and effect of food on the pharmacokinetics of iloperidone (HP 873), a potential atypical antipsychotic. J Clin Pharmacol, 1995. 35(7): p. 713-20. [3]. Albers, L.J., A. Musenga, and M.A. Raggi, Iloperidone: a new benzisoxazole atypical antipsychotic drug. Is it novel enough to impact the crowded atypical antipsychotic market? Expert Opin Investig Drugs, 2008. 17(1): p. 61-75. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 593.7±50.0 °C at 760 mmHg Melting Point 118-120°C Molecular Formula C24H27FN2O4 Molecular Weight 426.481 Flash Point 312.8±30.1 °C Exact Mass 426.195496 PSA 64.80000 LogP 3.81 Appearance of Characters white to beige Vapour Pressure 0.0±1.7 mmHg at 25°C Index of Refraction 1.570 InChIKey XMXHEBAFVSFQEX-UHFFFAOYSA-N SMILES COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1 Storage condition -20°C Freezer, Under Inert Atmosphere Water Solubility DMSO: soluble5mg/mL, clear |
| Use of | Properties Articles26 Name iloperidone Synonym More Synonyms Iloperidone Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Signaling Pathways >> GPCR/G Protein >> Dopamine Receptor Signaling Pathways >> Neuronal Signaling >> Dopamine Receptor Research Areas >> Neurological Disease References [1]. Kongsamut, S., et al., Iloperidone binding to human and rat dopamine and 5-HT receptors. Eur J Pharmacol, 1996. 317(2-3): p. 417-23. [2]. Sainati, S.M., et al., Safety, tolerability, and effect of food on the pharmacokinetics of iloperidone (HP 873), a potential atypical antipsychotic. J Clin Pharmacol, 1995. 35(7): p. 713-20. [3]. Albers, L.J., A. Musenga, and M.A. Raggi, Iloperidone: a new benzisoxazole atypical antipsychotic drug. Is it novel enough to impact the crowded atypical antipsychotic market? Expert Opin Investig Drugs, 2008. 17(1): p. 61-75. Chemical & Physical Properties Molecular Formula C24H27FN2O4 Exact Mass 426.195496 PSA 64.80000 Appearance of Characters white to beige Index of Refraction 1.570 InChIKey XMXHEBAFVSFQEX-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. 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 Danger Regulations: 1230 International Maritime Transport Danger Regulations: 1230 International Air Transport Danger Regulations: 1230 14.2 United Nations shipping name European Land Transport Dangerous Regulations: METHANOL, solution IMDG Code: METHANOL, solution IFRS: Methanol, solution 14.3 Transport hazard categories European land transport risk code: 3 (6.1) International sea transport risk code: 3 (6.1) International air transport risk code: 3 (6.1) 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 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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