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Chemical structure of SB 277011A dihydrochloride

GC13183

SB 277011A dihydrochloride

Also known as N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-4-carboxamide;dihydrochloride

SB 277011A dihydrochloride (SB-277011A dihydrochloride) is a potent, selective, orally bioavailable and brain penetrate dopamine D3 receptor antagonist, with pKis of 8·0, 6·0, ＜5·2 and 5·9 for D3, D2, 5-HT1B, and 5-HT1D receptors, respectively

ChemicalCAS1226917-67-4MW511.49FormulaC28H30N4O·2HCl
CAS number
1226917-67-4
Molecular weight
511.49
Formula
C28H30N4O·2HCl
Solubility
DMF： 3 mg/ml,DMSO： 14 mg/ml,DMSO：PBS (pH 7·2)(1：9)： 0·1 mg/ml,Ethanol： 0·1 mg/ml
InChIKey
HEZIOTGUXSPDAK-UHFFFAOYSA-N
Catalogue number
GC13183
Brand
GLPBIO
Computed properties PubChem CID 75358288 · TPSA 69 Ų · H-bond donors 3 · H-bond acceptors 4
TPSA
69 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35

SMILES C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=NC5=CC=CC=C45.Cl.Cl

Computed descriptors from PubChem (CID 75358288), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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