WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 525307
CAS#: 649551-06-4 (free)
Description: JNJ-17156516 is a novel, potent, and selective cholecystokinin 1 receptor antagonist. JNJ-17156516 expressed high-affinity at the cloned human (pK(I) = 7.96 +/- 0.11), rat (pK(I) = 8.02 +/- 0.11), and canine (pK(I) = 7.98 +/- 0.04) CCK1 receptors, and it was also highly selective for the CCK1 receptor compared with the CCK2 receptor across the same species ( approximately 160-, approximately 230-, and approximately 75-fold, respectively).
MedKoo Cat#: 525307
CAS#: 649551-06-4 (free)
Chemical Formula: C26H22Cl2N2O3
Exact Mass: 480.10075
Molecular Weight: 481.37
Elemental Analysis: C, 64.87; H, 4.61; Cl, 14.73; N, 5.82; O, 9.97
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Related CAS #: 649551-06-4 (free) 648861-58-9 (salt)
Synonym: JNJ-17156516; JNJ 17156516; JNJ17156516.
IUPAC/Chemical Name: (S)-3-(5-(3,4-Dichlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-3-yl)-2-(3-methylphenyl)propionic acid
InChi Key: UZCIUKFEIOCAOC-QFIPXVFZSA-N
InChi Code: InChI=1S/C26H22Cl2N2O3/c1-16-4-3-5-17(12-16)22(26(31)32)14-19-15-25(18-6-11-23(27)24(28)13-18)30(29-19)20-7-9-21(33-2)10-8-20/h3-13,15,22H,14H2,1-2H3,(H,31,32)/t22-/m0/s1
SMILES Code: O=C(O)[C@H](C1=CC=CC(C)=C1)CC2=NN(C3=CC=C(OC)C=C3)C(C4=CC=C(Cl)C(Cl)=C4)=C2
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
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
The following data is based on the product molecular weight 481.37 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.
|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|
1: Kumarasinghe IR, Hruby VJ, Nichol GS. 3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-3-yl]propionic acid and the corresponding methyl ester. Acta Crystallogr C. 2009 Apr;65(Pt 4):o163-6. doi: 10.1107/S010827010900941X. Epub 2009 Mar 21. PubMed PMID: 19346614; PubMed Central PMCID: PMC2724994.
2: Barrett TD, Yan W, Freedman JM, Lagaud GJ, Breitenbucher JG, Shankley NP. Role of CCK and potential utility of CCK1 receptor antagonism in the treatment of pancreatitis induced by biliary tract obstruction. Br J Pharmacol. 2008 Apr;153(8):1650-8. doi: 10.1038/bjp.2008.44. Epub 2008 Feb 25. PubMed PMID: 18297100; PubMed Central PMCID: PMC2438255.
3: Morton MF, Barrett TD, Yan W, Freedman JM, Lagaud G, Prendergast CE, Moreno V, Pyati J, Figueroa K, Li L, Wu X, Rizzolio M, Breitenbucher JG, McClure K, Shankley NP. 3-[5-(3,4-Dichloro-phenyl)-1-(4-methoxy-phenyl)-1H-pyrazol-3-yl]-2-m-tolyl-propio nate (JNJ-17156516), a novel, potent, and selective cholecystokinin 1 receptor antagonist: in vitro and in vivo pharmacological comparison with dexloxiglumide. J Pharmacol Exp Ther. 2007 Nov;323(2):562-9. Epub 2007 Aug 7. PubMed PMID: 17684117.