CE-326597

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 522517

CAS#: 870615-40-0

Description: 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.


Chemical Structure

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CE-326597
CAS# 870615-40-0

Theoretical Analysis

MedKoo Cat#: 522517
Name: CE-326597
CAS#: 870615-40-0
Chemical Formula: C37H34N6O2
Exact Mass: 594.27432
Molecular Weight: 594.719
Elemental Analysis: C, 74.73; H, 5.76; N, 14.13; O, 5.38

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Synonym: CE-326597; CE326597; CE 326597.

IUPAC/Chemical Name: (S)-2-(4-((1H-indol-3-yl)methyl)-5-oxo-1-phenyl-4,5-dihydro-6H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepin-6-yl)-N-benzyl-N-isopropylacetamide

InChi Key: UBNMGTSDHSQBEL-PMERELPUSA-N

InChi Code: 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

SMILES Code: CC(C)N(C(CN(C1=O)C2=CC=CC=C2N3C(C4=CC=CC=C4)=NN=C3[C@@H]1CC5=CNC6=C5C=CC=C6)=O)CC7=CC=CC=C7

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 594.719 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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Aditya J. Desai, Polo C. H. Lam, Andrew Orry, Ruben Abagyan, Arthur Christopoulos, Patrick M. Sexton, and Laurence J. Miller. Molecular Mechanism of Action of Triazolobenzodiazepinone Agonists of the Type 1 Cholecystokinin Receptor. Possible Cooperativity across the Receptor Homodimeric Complex. articles ASAP (As Soon As Publishable), Publication Date (Web): December 10, 2015 (Article), DOI: 10.1021/acs.jmedchem.5b01110