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MedKoo Cat#: 562104 | Name: WNK-IN-12

Description:

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

WNK-IN-12 is a potent, selective and orally active inhibitor of WNK1 kinase.

Chemical Structure

WNK-IN-12
WNK-IN-12
CAS#2123483-49-6

Theoretical Analysis

MedKoo Cat#: 562104

Name: WNK-IN-12

CAS#: 2123483-49-6

Chemical Formula: C21H18D3Cl2N5OS

Exact Mass: 464.1032

Molecular Weight: 465.41

Elemental Analysis: C, 54.20; H, 5.20; Cl, 15.23; N, 15.05; O, 3.44; S, 6.89

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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Synonym
WNK-IN-12; WNK IN 12; WNKIN12; WNK inhibitor 12; WNK inhibitor-12;
IUPAC/Chemical Name
(5-Chloro-2-(2-((methyl-d3)amino)thiazol-4-yl)pyridin-4-yl)(4-(4-chlorobenzyl)piperazin-1-yl)methanone
InChi Key
MVXAYIXYYOVALX-FIBGUPNXSA-N
InChi Code
InChI=1S/C21H21Cl2N5OS/c1-24-21-26-19(13-30-21)18-10-16(17(23)11-25-18)20(29)28-8-6-27(7-9-28)12-14-2-4-15(22)5-3-14/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,26)/i1D3
SMILES Code
O=C(C1=CC(C2=CSC(NC([2H])([2H])[2H])=N2)=NC=C1Cl)N3CCN(CC4=CC=C(Cl)C=C4)CC3
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 465.41 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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Nat Chem Biol. 2016 Nov;12(11):896-898. doi: 10.1038/nchembio.2168. Epub 2016 Sep 5. PubMed PMID: 27595330. 6: Argaiz ER, Gamba G. The regulation of Na+Cl- cotransporter by with-no-lysine kinase 4. Curr Opin Nephrol Hypertens. 2016 Sep;25(5):417-23. doi: 10.1097/MNH.0000000000000247. Review. PubMed PMID: 27322883. 7: Terker AS, Zhang C, Erspamer KJ, Gamba G, Yang CL, Ellison DH. Unique chloride-sensing properties of WNK4 permit the distal nephron to modulate potassium homeostasis. Kidney Int. 2016 Jan;89(1):127-34. doi: 10.1038/ki.2015.289. Epub 2016 Jan 4. PubMed PMID: 26422504; PubMed Central PMCID: PMC4814375. 8: Zhu W, Begum G, Pointer K, Clark PA, Yang SS, Lin SH, Kahle KT, Kuo JS, Sun D. WNK1-OSR1 kinase-mediated phospho-activation of Na+-K+-2Cl- cotransporter facilitates glioma migration. Mol Cancer. 2014 Feb 20;13:31. doi: 10.1186/1476-4598-13-31. PubMed PMID: 24555568; PubMed Central PMCID: PMC3936893. 9: Picard N, Trompf K, Yang CL, Miller RL, Carrel M, Loffing-Cueni D, Fenton RA, Ellison DH, Loffing J. Protein phosphatase 1 inhibitor-1 deficiency reduces phosphorylation of renal NaCl cotransporter and causes arterial hypotension. J Am Soc Nephrol. 2014 Mar;25(3):511-22. doi: 10.1681/ASN.2012121202. Epub 2013 Nov 14. PubMed PMID: 24231659; PubMed Central PMCID: PMC3935578. 10: Sengupta S, Lorente-Rodríguez A, Earnest S, Stippec S, Guo X, Trudgian DC, Mirzaei H, Cobb MH. Regulation of OSR1 and the sodium, potassium, two chloride cotransporter by convergent signals. Proc Natl Acad Sci U S A. 2013 Nov 19;110(47):18826-31. doi: 10.1073/pnas.1318676110. Epub 2013 Nov 4. PubMed PMID: 24191005; PubMed Central PMCID: PMC3839713. 11: Park HJ, Curry JN, McCormick JA. Regulation of NKCC2 activity by inhibitory SPAK isoforms: KS-SPAK is a more potent inhibitor than SPAK2. Am J Physiol Renal Physiol. 2013 Dec 15;305(12):F1687-96. doi: 10.1152/ajprenal.00211.2013. Epub 2013 Oct 16. PubMed PMID: 24133122; PubMed Central PMCID: PMC3882447. 12: Nishida H, Sohara E, Nomura N, Chiga M, Alessi DR, Rai T, Sasaki S, Uchida S. Phosphatidylinositol 3-kinase/Akt signaling pathway activates the WNK-OSR1/SPAK-NCC phosphorylation cascade in hyperinsulinemic db/db mice. Hypertension. 2012 Oct;60(4):981-90. doi: 10.1161/HYPERTENSIONAHA.112.201509. Epub 2012 Sep 4. PubMed PMID: 22949526; PubMed Central PMCID: PMC3743028. 13: Algharabil J, Kintner DB, Wang Q, Begum G, Clark PA, Yang SS, Lin SH, Kahle KT, Kuo JS, Sun D. Inhibition of Na(+)-K(+)-2Cl(-) cotransporter isoform 1 accelerates temozolomide-mediated apoptosis in glioblastoma cancer cells. Cell Physiol Biochem. 2012;30(1):33-48. doi: 10.1159/000339047. Epub 2012 Jun 8. PubMed PMID: 22759954; PubMed Central PMCID: PMC3603147. 14: Cui Y, Huang Q, Auman JT, Knight B, Jin X, Blanchard KT, Chou J, Jayadev S, Paules RS. Genomic-derived markers for early detection of calcineurin inhibitor immunosuppressant-mediated nephrotoxicity. Toxicol Sci. 2011 Nov;124(1):23-34. doi: 10.1093/toxsci/kfr217. Epub 2011 Aug 24. PubMed PMID: 21865292; PubMed Central PMCID: PMC3196657. 15: Yagi YI, Abe K, Ikebukuro K, Sode K. Kinetic mechanism and inhibitor characterization of WNK1 kinase. Biochemistry. 2009 Nov 3;48(43):10255-66. doi: 10.1021/bi900666n. PubMed PMID: 19739668. 16: Cai H, Cebotaru V, Wang YH, Zhang XM, Cebotaru L, Guggino SE, Guggino WB. WNK4 kinase regulates surface expression of the human sodium chloride cotransporter in mammalian cells. Kidney Int. 2006 Jun;69(12):2162-70. Epub 2006 May 10. PubMed PMID: 16688122. 17: Rinehart J, Kahle KT, de Los Heros P, Vazquez N, Meade P, Wilson FH, Hebert SC, Gimenez I, Gamba G, Lifton RP. WNK3 kinase is a positive regulator of NKCC2 and NCC, renal cation-Cl- cotransporters required for normal blood pressure homeostasis. 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