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SB-277011 , CAS No.215803-78-4, Antagonist of 5-HT 1D receptor;Antagonist of 5-HT 2B receptor;Antagonist of D 3 receptor
Basic Description
| Synonyms | SB-277,011A | SB-277,011-A | AKOS025147802 | CS-5889 | J-523352 | N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-4-carboxamide;SB-277011 | SB277011 | SB-277011 | trans-N-[4-[2-(6-cyano-1,2,3,4-tetrahydroisoquinolin-2yl)-ethyl] |
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| Specifications & Purity | Moligand™ |
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| Biochemical and Physiological Mechanisms |
SB-277011 (SB-277011A) is a Dopamine D3 receptor antagonist |
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| Storage Temp | Store at 2-8°C |
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| Shipped In | Wet ice |
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| Grade | Moligand™ |
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| Action Type | ANTAGONIST |
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| Mechanism of action | Antagonist of 5-HT 1D receptor;Antagonist of 5-HT 2B receptor;Antagonist of D 3 receptor |
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Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-4-carboxamide |
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| INCHI | InChI=1S/C28H30N4O/c29-18-21-5-8-23-19-32(16-13-22(23)17-21)15-12-20-6-9-24(10-7-20)31-28(33)26-11-14-30-27-4-2-1-3-25(26)27/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15-16,19H2,(H,31,33) |
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| InChi Key | OLWRVVHPJFLNPW-UHFFFAOYSA-N |
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| Canonical SMILES | C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=NC5=CC=CC=C45 |
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| Isomeric SMILES | C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=NC5=CC=CC=C45 |
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| PubChem CID | 5311096 |
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| Molecular Weight | 438.56 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Solubility | DMSO |
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| Molecular Weight | 438.600 g/mol |
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| XLogP3 | 4.600 |
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| Hydrogen Bond Donor Count | 1 |
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| Hydrogen Bond Acceptor Count | 4 |
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| Rotatable Bond Count | 5 |
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| Exact Mass | 438.242 Da |
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| Monoisotopic Mass | 438.242 Da |
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| Topological Polar Surface Area | 69.000 Ų |
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| Heavy Atom Count | 33 |
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| Formal Charge | 0 |
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| Complexity | 708.000 |
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| Isotope Atom Count | 0 |
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| Defined Atom Stereocenter Count | 0 |
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| Undefined Atom Stereocenter Count | 0 |
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| Defined Bond Stereocenter Count | 0 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 0 |
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| Covalently-Bonded Unit Count | 1 |
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