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MedKoo Cat#: 525307 | Name: JNJ-17156516

Description:

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

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).

Chemical Structure

JNJ-17156516
JNJ-17156516
CAS#649551-06-4 (free)

Theoretical Analysis

MedKoo Cat#: 525307

Name: JNJ-17156516

CAS#: 649551-06-4 (free)

Chemical Formula: C26H22Cl2N2O3

Exact Mass: 480.1008

Molecular Weight: 481.37

Elemental Analysis: C, 64.87; H, 4.61; Cl, 14.73; N, 5.82; O, 9.97

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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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
More Info

Preparing Stock Solutions

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.

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
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.