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Gastrin/CCK antagonist 1

CAT: 0804-HY-U00375-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-U00375-01Size:1 mg
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Description
Gastrin/CCK antagonist 1 is an antagonist of gastrin/CCK, used for the research of gastrointestinal disorders.
CAS Number
162271-52-5
UNSPSC
12352005
Target
Cholecystokinin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/Urea,_N-[1-cyclohexyl-2,3,4,5-tetrahydro-2,4-dioxo-5-[2-oxo-2-_1-pyrrolidinyl_ethyl]-1H-1,5-benzodiazepin-3-yl]-N_acute_-_4-fluorophenyl_-.html
Solubility
10 mM in DMSO
Smiles
O=C(NC1=CC=C(F)C=C1)NC2C(N(C3CCCCC3)C4=CC=CC=C4N(CC(N5CCCC5)=O)C2=O)=O
Molecular Formula
C28H32FN5O4
Molecular Weight
521.58
References & Citations
[1]1,5 BENZODIAZEPINE DERIVATIVES HAVING CCK AND/OR GASTRIN ANTAGONISTIC ACTIVITY. WO1994024151 A1
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Gastrin/CCK antagonist 1
CAS Number162271-52-5
PubChem CID9828083
IUPAC Name1-[5-cyclohexyl-2,4-dioxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-benzodiazepin-3-yl]-3-(4-fluorophenyl)urea
Molecular FormulaC28H32FN5O4
Molecular Weight521.6
XLogP3.3
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity882
SMILES
C1CCC(CC1)N2C3=CC=CC=C3N(C(=O)C(C2=O)NC(=O)NC4=CC=C(C=C4)F)CC(=O)N5CCCC5
InChI
InChI=1S/C28H32FN5O4/c29-19-12-14-20(15-13-19)30-28(38)31-25-26(36)33(18-24(35)32-16-6-7-17-32)22-10-4-5-11-23(22)34(27(25)37)21-8-2-1-3-9-21/h4-5,10-15,21,25H,1-3,6-9,16-18H2,(H2,30,31,38)
InChIKey
URMOKEJAUAGZGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gastrin/CCK antagonist 1
CAS: 162271-52-5
CID: 9828083
Formula: C28H32FN5O4
MW: 521.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.6
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass521.24383268
Monoisotopic Mass521.24383268
Topological Polar Surface Area102 Ų
Heavy Atom Count38
Formal Charge0
Complexity882
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T13260-01Gastrin/CCK antagonist 1
T10707-01CCK-B Receptor Antagonist 2
MBS5754083CCK-B Receptor Antagonist 1
GWB-8D712DAnti- Gastrin/ CCK Antibody
GWB-C8A829Anti- CCK-B/gastrin receptor Antibody
G2020-06Gastrin Tetrapeptide (human) (Gastrin (14-17), Cholecystokinin Tetrapeptide, CCK-4, Cholecystokinin Octapeptide (5-8) )
221426-01CCK-BR (Gastrin/cholecystokinin Type B Receptor, CCK-B Receptor, CCK-BR, Cholecystokinin-2 Receptor, CCK2-R, CCKBR, CCKRB) discontinued
397352CCKBR (Gastrin/Cholecystokinin Type B Receptor, CCK-B Receptor, CCK-BR, Cholecystokinin-2 Receptor, CCK2-R)
222878Gastrin (Gastrin, Gastrin-71, Gastrin 71, Gastrin71, Gastrin Component I, Gastrin-52, Gastrin 52, Gastrin52, Big gastrin, Gastrin Component II, Gastrin-34, Gastrin 34, Gastrin34, Gastrin, Gastrin Component III, Gastrin-17, Gastrin-14, Gastrin-6, Gastrin 17, Gastrin 14, Gastrin 6, Gastrin17, Gastrin14, Gastrin6, GAST, GAS)
521022-01CCK

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