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SSTR5 antagonist 1

CAT: 0804-HY-102037-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-102037-01Size:5 mg
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Description
SSTR5 antagonist 1 (compound 25a) is a selective and orally available somatostatin receptor subtype 5 (SSTR5) antagonist with IC50s of 9.6 and 57 nM for hSSTR5 and mSSTR5, respectively[1].
CAS Number
1628741-91-2
UNSPSC
12352005
Target
Somatostatin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Endocrinology
Assay Protocol
https://www.medchemexpress.com/SSTR5_antagonists_1.html
Purity
99.91
Solubility
DMSO : 90 mg/mL (ultrasonic)
Smiles
OC(C1CCN(C2=NOC3(CN(CC4=CC(OCC)=C(C5=CC=C(F)C=C5)C(OCC)=C4)C3)C2)CC1)=O
Molecular Formula
C28H34FN3O5
Molecular Weight
511.59
References & Citations
[1]Hirose H, et al. Discovery of novel 5-oxa-2,6-diazaspiro[3.4]oct-6-ene derivatives as potent, selective, and orally available somatostatin receptor subtype 5 (SSTR5) antagonists for treatment of type 2 diabetes mellitus. Bioorg Med Chem. 2017 Aug 1;25 (15) :4175-4193.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

SSTR5 antagonist 1
CAS Number1628741-91-2
PubChem CID90423921
IUPAC Name1-[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
Molecular FormulaC28H34FN3O5
Molecular Weight511.6
XLogP1.1
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity790
SMILES
CCOC1=CC(=CC(=C1C2=CC=C(C=C2)F)OCC)CN3CC4(C3)CC(=NO4)N5CCC(CC5)C(=O)O
InChI
InChI=1S/C28H34FN3O5/c1-3-35-23-13-19(14-24(36-4-2)26(23)20-5-7-22(29)8-6-20)16-31-17-28(18-31)15-25(30-37-28)32-11-9-21(10-12-32)27(33)34/h5-8,13-14,21H,3-4,9-12,15-18H2,1-2H3,(H,33,34)
InChIKey
UQRAIIGEZLINAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SSTR5 antagonist 1
CAS: 1628741-91-2
CID: 90423921
Formula: C28H34FN3O5
MW: 511.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.6
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass511.24824936
Monoisotopic Mass511.24824936
Topological Polar Surface Area83.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity790
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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