![(3-Chlorophenyl)[3,4-dihydro-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-2(1H)-isoquinolinyl]methanone structure, CAS 486427-17-2](/structures/180000/170479_2_486427_17_2.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 486427-17-2 |
| Catalog No. | 2A-1170328 |
| Chinese Name | (3-氯苯基)[3,4-二氢-6,7-二甲氧基-1-[(4-甲氧基苯氧基)甲基]-2(1H)-异喹啉基]甲酮 |
| Synonyms | Altanserin hydrochloride; CIQ |
| Molecular Formula | C26H26ClNO5 |
| Molecular Weight | 467.941 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 635.8±55.0 °C at 760 mmHg |
| Storage Condition | 2-8℃ |
| Application | CIQ is a subunit-selective NMDA receptor enhancer that acts on the NR2C or NR2D subunit. |
| PubChem ID | 6203916 |
| SMILES | COc1ccc(OCC2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(Cl)c2)cc1 |
| InChI | InChI=1S/C26H26ClNO5/c1-30-20-7-9-21(10-8-20)33-16-23-22-15-25(32-3)24(31-2)14-17(22)11-12-28(23)26(29)18-5-4-6-19(27)13-18/h4-10,13-15,23H,11-12,16H2,1-3H3 |
| InChI Key | VYMILMYEENZHAR-UHFFFAOYSA-N |
| Hazard Symbols | transportation |
| Bioactivity | CIQ is a subunit-selective potentiator of NMDA receptors containing the NR2C or NR2D subunit. IC50 value: 2.7 μM (EC50, for NR2C) and 2.8 μM (EC50, NR2D)Target: NMDA receptorCIQ increases channel opening frequency of recombinant NR2Cor NR2D containing receptors by two-fold (EC50 = 2.7 and 2.8 μM, respectively), with no effect on NR2A or NR2B subtypes. CIQ does not alter the EC50 values for glutamate or glycine on channel opening. CIQ increases channel opening efficiency and enhances NMDA receptor responses. CIQ reduces associated behaviours in schizophrenia models and potentially enhances dopamine release in Parkinson's disease models. Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> iGluR Signaling Pathways >> Neuronal Signaling >> iGluR Research Areas >> Neurological Disease Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 635.8±55.0 °C at 760 mmHg Molecular Formula C26H26ClNO5 Molecular Weight 467.941 Flash Point 338.3±31.5 °C Exact Mass 467.149963 PSA 57.23000 LogP 4.56 Vapour Pressure 0.0±1.9 mmHg at 25°C Index of Refraction 1.590 InChIKey VYMILMYEENZHAR-UHFFFAOYSA-N SMILES COc1ccc(OCC2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(Cl)c2)cc1 Storage condition 2-8℃ |
| Use of | Properties Name (3-Chlorophenyl){6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-d ihydro-2(1H)-isoquinolinyl}methanone Synonym More Synonyms CIQ Biological Activity Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> iGluR Signaling Pathways >> Neuronal Signaling >> iGluR Research Areas >> Neurological Disease Chemical & Physical Properties Exact Mass 467.149963 PSA 57.23000 Index of Refraction 1.590 InChIKey VYMILMYEENZHAR-UHFFFAOYSA-N Storage condition 2-8℃ |
| 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. ((3-Chlorophenyl)[3,4- dihydro-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-2(1H0-isoquinolinyl]-methanone) IMDG Code: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. ((3-Chlorophenyl)[3,4- dihydro-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-2(1H0-isoquinolinyl]-methanone) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. ((3-Chlorophenyl)[3,4-dihydro-6,7- dimethoxy-1-[(4-methoxyphenoxy)methyl]-2(1H0-isoquinolinyl]-methanone) 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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