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A-65186

CAT: 0931-T26483-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T26483-02Size:5 mg
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CAS Number
119295-94-2
Target
Cholecystokinin Receptor
Related Pathways
GPCR/G Protein
Purity
0.9994
Bioactivity
A-65186 is an A-type glutamatergic cholecystokinin (CCK) antagonist used to study inflammation and gastrointestinal tract injury.
Smiles
C(N[C@@H](C(N(CCCCC)CCCCC)=O)CCC(O)=O)(=O)C1=CC2=C(N=C1)C=CC=C2
Molecular Formula
C25H35N3O4
Molecular Weight
441.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A 65186

type A CCK receptor antagonist; structure given in first source; A-70104 is the dicyclohexylammonium salt of A-65186

CAS Number119295-94-2
PubChem CID3081191
IUPAC Name(4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid
Molecular FormulaC25H35N3O4
Molecular Weight441.6
XLogP4.5
Topological Polar Surface Area99.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count32
Formal Charge0
Complexity588
SMILES
CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC2=CC=CC=C2N=C1
InChI
InChI=1S/C25H35N3O4/c1-3-5-9-15-28(16-10-6-4-2)25(32)22(13-14-23(29)30)27-24(31)20-17-19-11-7-8-12-21(19)26-18-20/h7-8,11-12,17-18,22H,3-6,9-10,13-16H2,1-2H3,(H,27,31)(H,29,30)/t22-/m1/s1
InChIKey
LVIZXRRZYVZZEN-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of A 65186
CAS: 119295-94-2
CID: 3081191
Formula: C25H35N3O4
MW: 441.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.6
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass441.26275661
Monoisotopic Mass441.26275661
Topological Polar Surface Area99.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity588
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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CatalogName
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