S32826
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 562163

CAS#: 1103672-43-0

Description: S32826 is an inhibitor of autotaxin.


Chemical Structure

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S32826
CAS# 1103672-43-0

Theoretical Analysis

MedKoo Cat#: 562163
Name: S32826
CAS#: 1103672-43-0
Chemical Formula: C21H34NNa2O4P
Exact Mass: 441.2021
Molecular Weight: 441.45
Elemental Analysis: C, 57.14; H, 7.76; N, 3.17; Na, 10.42; O, 14.50; P, 7.02

Price and Availability

Size Price Availability Quantity
5.0mg USD 340.0 2 Weeks
25.0mg USD 1000.0 2 Weeks
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Synonym: S32826; S-32826; S 32826;

IUPAC/Chemical Name: Disodium N-[4-(phosphonatomethyl)phenyl]tetradecanamide

InChi Key: DGRFALMFDGBLCP-UHFFFAOYSA-L

InChi Code: InChI=1S/C21H36NO4P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(23)22-20-16-14-19(15-17-20)18-27(24,25)26;;/h14-17H,2-13,18H2,1H3,(H,22,23)(H2,24,25,26);;/q;2*+1/p-2

SMILES Code: CCCCCCCCCCCCCC(NC1=CC=C(CP([O-])([O-])=O)C=C1)=O.[Na+].[Na+]

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

Preparing Stock Solutions

The following data is based on the product molecular weight 441.45 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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1: Hirane M, Ishii S, Tomimatsu A, Fukushima K, Takahashi K, Fukushima N, Honoki K, Tsujiuchi T. Different induction of LPA receptors by chemical liver carcinogens regulates cellular functions of liver epithelial WB-F344 cells. Mol Carcinog. 2016 Nov;55(11):1573-1583. doi: 10.1002/mc.22410. Epub 2015 Sep 17. PubMed PMID: 26377854.

2: Mori S, Araki M, Ishii S, Hirane M, Fukushima K, Tomimatsu A, Takahashi K, Fukushima N, Tsujiuchi T. LPA signaling through LPA receptors regulates cellular functions of endothelial cells treated with anticancer drugs. Mol Cell Biochem. 2015 Oct;408(1-2):147-54. doi: 10.1007/s11010-015-2490-3. Epub 2015 Jun 27. PubMed PMID: 26116018.

3: Katakai T, Kondo N, Ueda Y, Kinashi T. Autotaxin produced by stromal cells promotes LFA-1-independent and Rho-dependent interstitial T cell motility in the lymph node paracortex. J Immunol. 2014 Jul 15;193(2):617-26. doi: 10.4049/jimmunol.1400565. Epub 2014 Jun 16. PubMed PMID: 24935929.

4: Fisher N, Hilton-Bolt T, Edwards MG, Haxton KJ, McKenzie M, Allin SM, Richardson A. Dendrimer Conjugate of [4-(Tetradecanoylamino)benzyl]phosphonic Acid (S32826) as an Autotaxin Inhibitor. ACS Med Chem Lett. 2013 Nov 18;5(1):34-9. doi: 10.1021/ml4003106. eCollection 2014 Jan 9. PubMed PMID: 24900771; PubMed Central PMCID: PMC4027627.

5: Iyer P, Lalane R 3rd, Morris C, Challa P, Vann R, Rao PV. Autotaxin-lysophosphatidic acid axis is a novel molecular target for lowering intraocular pressure. PLoS One. 2012;7(8):e42627. doi: 10.1371/journal.pone.0042627. Epub 2012 Aug 20. PubMed PMID: 22916143; PubMed Central PMCID: PMC3423407.

6: Jiang G, Madan D, Prestwich GD. Aromatic phosphonates inhibit the lysophospholipase D activity of autotaxin. Bioorg Med Chem Lett. 2011 Sep 1;21(17):5098-101. doi: 10.1016/j.bmcl.2011.03.068. Epub 2011 Mar 23. PubMed PMID: 21489790; PubMed Central PMCID: PMC3140587.

7: Li S, Wang B, Xu Y, Zhang J. Autotaxin is induced by TSA through HDAC3 and HDAC7 inhibition and antagonizes the TSA-induced cell apoptosis. Mol Cancer. 2011 Feb 12;10:18. doi: 10.1186/1476-4598-10-18. PubMed PMID: 21314984; PubMed Central PMCID: PMC3055229.

8: Gaetano CG, Samadi N, Tomsig JL, Macdonald TL, Lynch KR, Brindley DN. Inhibition of autotaxin production or activity blocks lysophosphatidylcholine-induced migration of human breast cancer and melanoma cells. Mol Carcinog. 2009 Sep;48(9):801-9. doi: 10.1002/mc.20524. PubMed PMID: 19204929; PubMed Central PMCID: PMC2736327.

9: Ferry G, Moulharat N, Pradère JP, Desos P, Try A, Genton A, Giganti A, Beucher-Gaudin M, Lonchampt M, Bertrand M, Saulnier-Blache JS, Tucker GC, Cordi A, Boutin JA. S32826, a nanomolar inhibitor of autotaxin: discovery, synthesis and applications as a pharmacological tool. J Pharmacol Exp Ther. 2008 Dec;327(3):809-19. doi: 10.1124/jpet.108.141911. Epub 2008 Aug 28. PubMed PMID: 18755937.

S32826

5.0mg / USD 340.0