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anatibant , Bradykinin B2 receptor antagonist, CAS No.209733-45-9, Bradykinin B2 receptor antagonist
Basic Description
| Synonyms | UNII-CLO4JRD21F | (2S)-N-(3-(4-Carbamimidoylbenzamido)propyl)-1-(2,4-dichloro-3-((2,4-dimethyl-8-quinolyloxy)methyl)phenylsulfonyl)pyrrolidine-2-carboxamide | LF 16-0687 | GTPL679 | AKOS040747817 | Anatibant | 209733-45-9 (free base) | C20010 | CHEBI:1388 |
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| Specifications & Purity | Moligand™ |
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| Grade | Moligand™ |
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| Action Type | ANTAGONIST |
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| Mechanism of action | Bradykinin B2 receptor antagonist |
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Associated Targets(Human)
Names and Identifiers
| IUPAC Name | (2S)-N-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide |
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| INCHI | InChI=1S/C34H36Cl2N6O5S/c1-20-18-21(2)41-31-24(20)6-3-8-28(31)47-19-25-26(35)13-14-29(30(25)36)48(45,46)42-17-4-7-27(42)34(44)40-16-5-15-39-33(43)23-11-9-22(10-12-23)32(37)38/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44)/t27-/m0/s1 |
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| InChi Key | XUHBBTKJWIBQMY-MHZLTWQESA-N |
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| Canonical SMILES | CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NCCCNC(=O)C5=CC=C(C=C5)C(=N)N)Cl)C |
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| Isomeric SMILES | CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCC[C@H]4C(=O)NCCCNC(=O)C5=CC=C(C=C5)C(=N)N)Cl)C |
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| Alternate CAS | 209733-45-9 |
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| PubChem CID | 9831652 |
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| MeSH Entry Terms | 1-((2,4-dichloro-3-(((2,4-dimethylquinolin-8-yl)oxy) methyl)phenyl)sulfonyl)-N-(3-((4-(aminoimethyl) phenyl) carbonylamino)propyl)-2(S)-pyrrolidinecarboxamide;Anatibant;LF 16-0687;LF16-0687;LF16-0687Ms |
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| Molecular Weight | 711.7 |
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