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Chemical structure of SB-277011 hydrochloride

GC60334

SB-277011 hydrochloride

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

SB-277011 hydrochloride (SB-277011A hydrochloride) is a potent, selective, orally bioavailable and brain penetrate?dopamine D3?receptor (D3R)?antagonist with Ki values of 10·7?nM and?11·2 nM?at?rodent and human?D3R, respectively

ChemicalCAS215804-67-4MW475.02FormulaC28H31ClN4O
CAS number
215804-67-4
Molecular weight
475.02
Formula
C28H31ClN4O
Solubility
DMSO： 50 mg/mL (105·26 mM); Water： 16·67 mg/mL (35·09 mM)
InChIKey
DKPTUMKZXQOJCX-UHFFFAOYSA-N
Catalogue number
GC60334
Brand
GLPBIO
Computed properties PubChem CID 24845776 · TPSA 69 Ų · H-bond donors 2 · H-bond acceptors 4
TPSA
69 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
34

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

Computed descriptors from PubChem (CID 24845776), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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Documents
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