CCX354

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

MedKoo CAT#: 565666

CAS#: 1010073-75-2

Description: CCX354 is a novel potent, selective, orally-available ccr1 antagonist

Chemical Structure

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CCX354
CAS# 1010073-75-2
Instruction

Theoretical Analysis

MedKoo Cat#: 565666
Name: CCX354
CAS#: 1010073-75-2
Chemical Formula: C22H22ClN7O2
Exact Mass: 451.15
Molecular Weight: 451.915
Elemental Analysis: C, 58.47; H, 4.91; Cl, 7.84; N, 21.70; O, 7.08

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: CCX354; CCX 354; CCX-354: GSK-2941266; GSK 2941266; GSK2941266

IUPAC/Chemical Name: 2-(3-(1H-Imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-1-(4-(4-chloro-3-methoxyphenyl)piperazin-1-yl)ethan-1-one

InChi Key: ZIMLRKWQDLVPEK-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13H,9-12,14H2,1H3,(H,24,25)

SMILES Code: O=C(N1CCN(C2=CC=C(Cl)C(OC)=C2)CC1)CN3N=C(C4=NC=CN4)C5=CC=CN=C53

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: >3 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:

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO 0.0 100.00

Preparing Stock Solutions

The following data is based on the product molecular weight 451.92 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Gilchrist A, Gauntner TD, Fazzini A, Alley KM, Pyen DS, Ahn J, Ha SJ, Willett A, Sansom SE, Yarfi JL, Bachovchin KA, Mazzoni MR, Merritt JR. Identifying bias in CCR1 antagonists using radiolabelled binding, receptor internalization, β-arrestin translocation and chemotaxis assays. Br J Pharmacol. 2014 Nov;171(22):5127-38. doi: 10.1111/bph.12835. PubMed PMID: 24990525; PubMed Central PMCID: PMC4253460.

2: Dairaghi DJ, Oyajobi BO, Gupta A, McCluskey B, Miao S, Powers JP, Seitz LC, Wang Y, Zeng Y, Zhang P, Schall TJ, Jaen JC. CCR1 blockade reduces tumor burden and osteolysis in vivo in a mouse model of myeloma bone disease. Blood. 2012 Aug 16;120(7):1449-57. doi: 10.1182/blood-2011-10-384784. Epub 2012 May 22. PubMed PMID: 22618707; PubMed Central PMCID: PMC3423783.

3: Tak PP, Balanescu A, Tseluyko V, Bojin S, Drescher E, Dairaghi D, Miao S, Marchesin V, Jaen J, Schall TJ, Bekker P. Chemokine receptor CCR1 antagonist CCX354-C treatment for rheumatoid arthritis: CARAT-2, a randomised, placebo controlled clinical trial. Ann Rheum Dis. 2013 Mar;72(3):337-44. doi: 10.1136/annrheumdis-2011-201605. Epub 2012 May 15. PubMed PMID: 22589376.

4: Fleischmann R. Novel small-molecular therapeutics for rheumatoid arthritis. Curr Opin Rheumatol. 2012 May;24(3):335-41. doi: 10.1097/BOR.0b013e32835190ef. Review. PubMed PMID: 22357358.

5: Dairaghi DJ, Zhang P, Wang Y, Seitz LC, Johnson DA, Miao S, Ertl LS, Zeng Y, Powers JP, Pennell AM, Bekker P, Schall TJ, Jaen JC. Pharmacokinetic and pharmacodynamic evaluation of the novel CCR1 antagonist CCX354 in healthy human subjects: implications for selection of clinical dose. Clin Pharmacol Ther. 2011 May;89(5):726-34. doi: 10.1038/clpt.2011.33. Epub 2011 Mar 30. PubMed PMID: 21451509.