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CE-326597

CAT: 0931-T68482-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68482-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
870615-40-0
Target
Others
Related Pathways
Others
Bioactivity
CE-326597 is a potent and selective CCK1R agonist. The type 1 cholecystokinin receptor (CCK1R) has multiple physiologic roles relating to nutrient homeostasis, including mediation of postcibal satiety. The type 1 cholecystokinin (CCK) receptor (CCK1R) is a key mediator of postcibal satiety and a potential target for drugs that may be useful to prevent and/or treat obesity.
Smiles
C([C@H]1C=2N(C=3C(N(CC(N(CC4=CC=CC=C4)C(C)C)=O)C1=O)=CC=CC3)C(=NN2)C5=CC=CC=C5)C=6C=7C(NC6)=CC=CC7
Molecular Formula
C37H34N6O2
Molecular Weight
594.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ce-326597

CE-326,597 has been used in trials studying the treatment of Obesity.

CAS Number870615-40-0
PubChem CID52949124
IUPAC NameN-benzyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-5-oxo-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-6-yl]-N-propan-2-ylacetamide
Molecular FormulaC37H34N6O2
Molecular Weight594.7
XLogP5.8
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count45
Formal Charge0
Complexity1010
SMILES
CC(C)N(CC1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N4C(=NN=C4C5=CC=CC=C5)[C@@H](C2=O)CC6=CNC7=CC=CC=C76
InChI
InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1
InChIKey
UBNMGTSDHSQBEL-PMERELPUSA-N
Chemical Structure
2D Structure
2D structure of Ce-326597
CAS: 870615-40-0
CID: 52949124
Formula: C37H34N6O2
MW: 594.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.7
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass594.27432435
Monoisotopic Mass594.27432435
Topological Polar Surface Area87.1 Ų
Heavy Atom Count45
Formal Charge0
Complexity1010
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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