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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
CS-003 Free base (CS-003), a triple tachykinin receptor antagonist, shows high affinities for human ( Neurokinin ) NK1 , NK2 and NK3 receptors with K i values of 2.3 nM, 0.54 nM and 0.74 nM, respectively. CS-003 Free base (CS-003) has therapeutic efficacy on respiratory diseases associated with neurokinins.
| Canonical Smiles | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCOC(C2)(CCN3CCC4(CC3)C5=CC=CC=C5CS4=O)C6=CC(=C(C=C6)Cl)Cl |
|---|---|
| IUPAC Name | [(2R)-2-(3,4-dichlorophenyl)-2-[2-(2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl)ethyl]morpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanone |
| InChIKey | RWSBBXFLRGQFQP-KHIDOSKGSA-N |
| INCHI | 1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45?/m0/s1 |
| Isomeric SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCO[C@](C2)(CCN3CCC4(CC3)C5=CC=CC=C5CS4=O)C6=CC(=C(C=C6)Cl)Cl |
| Alternate CAS | 191672-52-3 |
| PubChem CID | 9831253 |
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