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Ksg 504

CAT: 0013-GTR19194098-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194098-01Size:25 mg
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Description
Ksg 504 is a proglumide-derived small molecule exhibiting enhanced selectivity and affinity for CCK-A receptors. It serves as a valuable research tool for investigating CCK-A receptor function in gastrointestinal physiology, pancreatic secretion, and satiety signaling in both in vitro and in vivo models.
CAS Number
137005-17-5
Field of Research
Pharmacology & Drug Discovery
Smiles
C (CCNC (=N) N) [C@@H] (C (O) =O) N.S (C[C@@H] (C (N (CCCCC) CCCOC) =O) CCC (O) =O) (=O) (=O) C1=CC2=C (C=C1) C=CC=C2
Molecular Formula
C31H49N5O8S
Molecular Weight
651.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ksg 504

has superior selectivity and affinity to CCK-A receptors; derived from proglumide

CAS Number137005-17-5
PubChem CID74030547
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;5-[3-methoxypropyl(pentyl)amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxopentanoic acid;hydrate
Molecular FormulaC31H51N5O9S
Molecular Weight669.8
Topological Polar Surface Area238
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Heavy Atom Count46
Formal Charge0
Complexity881
SMILES
CCCCCN(CCCOC)C(=O)C(CCC(=O)O)CS(=O)(=O)C1=CC2=CC=CC=C2C=C1.C(CC(C(=O)O)N)CN=C(N)N.O
InChI
InChI=1S/C25H35NO6S.C6H14N4O2.H2O/c1-3-4-7-15-26(16-8-17-32-2)25(29)22(12-14-24(27)28)19-33(30,31)23-13-11-20-9-5-6-10-21(20)18-23;7-4(5(11)12)2-1-3-10-6(8)9;/h5-6,9-11,13,18,22H,3-4,7-8,12,14-17,19H2,1-2H3,(H,27,28);4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H2
InChIKey
XIGWXYNWZKIGCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ksg 504
CAS: 137005-17-5
CID: 74030547
Formula: C31H51N5O9S
MW: 669.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight669.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Exact Mass669.34074939
Monoisotopic Mass669.34074939
Topological Polar Surface Area238 Ų
Heavy Atom Count46
Formal Charge0
Complexity881
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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