Name: CS-003 Free base
Rating: 5 (10 reviews)

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HIT ID:HIT214314736
Cas No:191672-52-3
常用名:CS-003 Free base
IUPAC:(2S)-1'-{2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl}-3H-spiro[2lambda4-benzothiophene-1,4'-piperidin]-2-one
IUPAC:(2S)-1'-{2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl}-3H-spiro[2lambda4-benzothiophene-1,4'-piperidin]-2-one
InChI key:RWSBBXFLRGQFQP-KHIDOSKGSA-N

分子式:C34H38Cl2N2O6S
分子量:673.65
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@@](CCN2CCC3(CC2)c2ccccc2C[S@@]3=O)(C1)c1ccc(Cl)c(Cl)c1
SMILES:COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@@](CCN2CCC3(CC2)c2ccccc2C[S@@]3=O)(C1)c1ccc(Cl)c(Cl)c1

CS-003 free base (CS-003) is a triple tachykinin receptor antagonist with high affinity for human (neurokinin) NK1, NK2 and NK3 receptors, with Ki values of 2.3 nM and 0.54 nM, respectively And 0.74 nM. CS-003 free base (CS-003) has therapeutic effects on neurokinin-related respiratory diseases.

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