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GI 181771

CAT: 0804-HY-11076-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-11076-02Size:5 mg
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Description
GI 181771 is a cholecystokinin 1 receptor agonist investigated for the treatment of obesity.
CAS Number
305366-98-7
UNSPSC
12352005
Target
Cholecystokinin 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/GI_181771.html
Solubility
10 mM in DMSO
Smiles
O=C(O)C1=CC=CC(NC(N[C@H]2C(N(CC(N(C(C)C)C3=CC=CC=C3)=O)C4=CC=CC=C4N(C5=CC=CC=C5)C2=O)=O)=O)=C1
Molecular Formula
C34H31N5O6
Molecular Weight
605.64
References & Citations
[1]Myer JR, et al. Species- and dose-specific pancreatic responses and progression in single- and repeat-dose studies with GI181771X: a novel cholecystokinin 1 receptor agonist in mice, rats, and monkeys. Toxicol Pathol. 2014 Jan;42 (1) :260-74.|[2]Roses AD, et al. Stimulation of cholecystokinin-A receptors with Gl181771X: a failed clinical trial that did not test the pharmacogenetic hypothesis for reduction of food intake. Clin Pharmacol Ther. 2009 Apr;85 (4) :362-5.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
CCKAR

Chemical Information

GI-181771X

Gski181771 X is under investigation in clinical trial NCT00600743 (Effect of a CCK-1R Agonist on Food Intake in Humans).

CAS Number305366-98-7
PubChem CID51353551
IUPAC Name3-[[(3S)-2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid
Molecular FormulaC34H31N5O6
Molecular Weight605.6
XLogP4.3
Topological Polar Surface Area139
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count45
Formal Charge0
Complexity1090
SMILES
CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N(C(=O)[C@H](C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5
InChI
InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1
InChIKey
CABBMMXFOOZVMS-PMERELPUSA-N
Chemical Structure
2D Structure
2D structure of GI-181771X
CAS: 305366-98-7
CID: 51353551
Formula: C34H31N5O6
MW: 605.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.6
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass605.22743373
Monoisotopic Mass605.22743373
Topological Polar Surface Area139 Ų
Heavy Atom Count45
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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