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A-65186

CAT: 0804-HY-118194-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118194-02Size:5 mg
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Description
A-65186 is a CCK-A receptor antagonist with the activity of inhibiting CCK8-induced amylase secretion. A-65186 has high binding affinity for pancreatic CCK-A receptors, is more than 500 times more selective for CCK-A receptors than for CCK-B receptors, and can inhibit CCK8-induced amylase secretion.
CAS Number
119295-94-2
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/a-65186.html
Purity
99.94
Smiles
O=C(CC[C@H](C(N(CCCCC)CCCCC)=O)NC(C1=CC2=CC=CC=C2N=C1)=O)O
Molecular Formula
C25H35N3O4
Molecular Weight
441.56
References & Citations
[1]Cholecystokinin antagonists: (R) -tryptophan-based hybrid antagonists of high affinity and selectivity for CCK-A receptors
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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