CAS Number130580-02-8
SynonymsEplivanserin hemifumarate; TRANS-2'-FLUORO-4-HYDROXYCHALCONE O-[(Z)-2-(DIMETHYLAMINO)ETHYL]OXIME--FUMARIC ACID (2:1); SR-46349 hemifumarate salt
Molecular FormulaC23H25FN2O6
Molecular Weight386.42
Purity≥98 (HPLC)%
Boiling Point456.3ºC at 760mmHg
Appearancepowder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 130580-02-8 |
| Catalog No. | 2A-9052052 |
| Chinese Name | 富马酸依利色林 |
| Synonyms | Eplivanserin hemifumarate; TRANS-2'-FLUORO-4-HYDROXYCHALCONE O-[(Z)-2-(DIMETHYLAMINO)ETHYL]OXIME--FUMARIC ACID (2:1); SR-46349 hemifumarate salt |
| Molecular Formula | C23H25FN2O6 |
| Molecular Weight | 386.42 |
| Purity | ≥98 (HPLC) |
| Boiling Point | 456.3ºC at 760mmHg |
| Appearance | powder |
| Application | Epivancillin (SR-46349) hemifumarate is a potent, selective and orally active 5-HT2A receptor antagonist with an IC50 of 5.8nm and a Kd of 1.14nm in rat cortical membranes. Compared with 5-HT2B and 5- |
| PubChem ID | 329824579 |
| MDL Number | MFCD12546335 |
| SMILES | OC(=O)\C=C\C(O)=O.CN(C)CCO\N=C(\C=C\c1ccc(O)cc1)c2ccccc2F.CN(C)CCO\N=C(\C=C\c3ccc(O)cc3)c4ccccc4F |
| InChI | 1S/2C19H21FN2O2.C4H4O4/c2*1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15;5-3(6)1-2-4(7)8/h2*3-12,23H,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b2*12-9+,21-19-;2-1+ |
| InChI Key | RNLKLYQQDLHHBH-ABDBJYMXSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Hazard Symbols | transportation |
| MSDS | msds/52052_1_130580_02_8.pdf |
| Bioactivity | Eplivanserin (SR-46349) hemifumarate is a potent, selective and orally active 5-HT2A receptor antagonist, with an IC50 of 5.8 nM in rat cortical membrane, and a Kd of 1.14 nM. Eplivanserin hemifumarate displays >20-fold selectivity more selective for 5-HT2A than 5-HT2B and 5-HT2C[1][2]. Related Catalog Research Areas >> Neurological Disease Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Target 5-HT2A Receptor:5.8 nM (IC50) 5-HT2C Receptor:120 nM (IC50) In Vitro Eplivanserin hemifumarate (SR 46349B) shows weak inhibition on other 5-HT kinases, with IC50s of 0.12 μM (Pig cortex 5-HT1C), 14 μM (Rat hippocampus 5-HT1A), and 16 μM (Rat stnatum 5-HT1B, Ox caudate nucleus 5-HT1D). Eplivanserin also has inhibitory effects on rat cortex adrenergic α1 and α2, rat whole brain histammine H1, Na+ channel, and rat striatum dopamine D1 and D2, with IC50s of 3.4 μM, 1.0 μM, 5.0 μM, 39 μM, 9 μM and 28 μM, respectively[1]. In Vivo Eplivanserin hemifumarate (SR 46349B) inhibits 5-HT2 receptor binding of [3H]ketanserin with an ED50 of 0.087 mg/kg after i.p. injection, and 0.097 mg/kg after p.o administration in mice[1]. SR 46349B (0.25-1 mg/kg; i.p.) blocks Cocaine-evoked hyperactivity following repeated Cocaine treatment in rats[2]. References [1]. Rinaldi-Carmona M, et al. Biochemical and pharmacological properties of SR 46349B, a new potent and selective 5-hydroxytryptamine2 receptor antagonist. J Pharmacol Exp Ther. 1992 Aug;262(2):759-68. [2]. Malgorzata Filip, et al. Contribution of serotonin (5-hydroxytryptamine; 5-HT) 5-HT2 receptor subtypes to the hyperlocomotor effects of cocaine: acute and chronic pharmacological analyses. J Pharmacol Exp Ther. 2004 Sep;310(3):1246-54. Chemical & Physical Properties Boiling Point 456.3ºC at 760mmHg Molecular Formula C23H25FN2O6 Molecular Weight 444.45300 Flash Point 229.8ºC Exact Mass 444.17000 PSA 119.66000 LogP 3.23880 Vapour Pressure 1.63E-08mmHg at 25°C InChIKey RNLKLYQQDLHHBH-WCIJYLBISA-N SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F.CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F.O=C(O)C=CC(=O)O |
| Use of | Properties Articles26 Name Eplivanserin Fumarate Synonym More Synonyms Eplivanserin hemifumarate Biological Activity Related Catalog Research Areas >> Neurological Disease Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor 5-HT2A Receptor:5.8 nM (IC50) References [1]. Rinaldi-Carmona M, et al. Biochemical and pharmacological properties of SR 46349B, a new potent and selective 5-hydroxytryptamine2 receptor antagonist. J Pharmacol Exp Ther. 1992 Aug;262(2):759-68. [2]. Malgorzata Filip, et al. Contribution of serotonin (5-hydroxytryptamine; 5-HT) 5-HT2 receptor subtypes to the hyperlocomotor effects of cocaine: acute and chronic pharmacological analyses. J Pharmacol Exp Ther. 2004 Sep;310(3):1246-54. Chemical & Physical Properties Molecular Formula C23H25FN2O6 Exact Mass 444.17000 PSA 119.66000 LogP 3.23880 InChIKey RNLKLYQQDLHHBH-WCIJYLBISA-N |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 Names specified by the United Nations (UN) European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Eplivanserin) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Eplivanserin) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. (Eplivanserin) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations Maritime Pollutants: Yes International Air Transport Dangerous Regulations: Yes 14.6 Special reminder to users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3), |
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