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Chemical structure of SSTR5 antagonist 1

GC65313

SSTR5 antagonist 1

Also known as 1-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid

SSTR5 antagonist 1 is a potent, selective, and orally available somatostatin receptor subtype 5 (SSTR5) antagonist with IC50s of 9·6 and 57 nM for hSSTR5 and mSSTR5, respectively

ChemicalCAS1628741-91-2MW511.59FormulaC28H34FN3O5
CAS number
1628741-91-2
Molecular weight
511.59
Formula
C28H34FN3O5
Solubility
DMSO : 90 mg/mL (175·92 mM; Need ultrasonic)
InChIKey
UQRAIIGEZLINAT-UHFFFAOYSA-N
Catalogue number
GC65313
Brand
GLPBIO
Computed properties PubChem CID 90423921 · XLogP 1.1 · TPSA 83.8 Ų · H-bond donors 1
XLogP
1.1
TPSA
83.8 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
37

SMILES CCOC1=CC(=CC(=C1C2=CC=C(C=C2)F)OCC)CN3CC4(C3)CC(=NO4)N5CCC(CC5)C(=O)O

Computed descriptors from PubChem (CID 90423921), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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