HET0016 | 20-HETE synthase inhibitor | CAS#339068-25-6

MedKoo Cat#: 128306 | Name: HET0016

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Description:

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

HET0016 is a potent and selective 20-hydroxyeicosatetraenoic acid (20-HETE) synthase inhibitor, with IC50 values of 17.7 nM, 12.1 nM and 20.6 nM for recombinant CYP4A1-, CYP4A2- and CYP4A3-catalyzed 20-HETE synthesis, respectively.

Chemical Structure

HET0016

CAS#339068-25-6

Theoretical Analysis

MedKoo Cat#: 128306

Name: HET0016

CAS#: 339068-25-6

Chemical Formula: C12H18N2O

Exact Mass: 206.1419

Molecular Weight: 206.29

Elemental Analysis: C, 69.87; H, 8.80; N, 13.58; O, 7.76

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 450.00	2 Weeks

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Related CAS #

No Data

Synonym

HET0016; HET-0016; HET 0016

IUPAC/Chemical Name

(E)-N'-(4-butyl-2-methylphenyl)-N-hydroxyformimidamide

InChi Key

LYNOGBKNFIHKLE-UHFFFAOYSA-N

InChi Code

InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)

SMILES Code

CCCCC1=CC=C(C(C)=C1)/N=C/NO

Appearance

To be determined

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

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Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 206.29 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: Chen X, Ning Y, Wang B, Qin J, Li C, Gao R, Ma Z, Zhou Y, Li P, Zhao Y, Peng Y, Chen X, Yang N, Shu S. HET0016 inhibits neuronal pyroptosis in the immature brain post-TBI via the p38 MAPK signaling pathway. Neuropharmacology. 2023 Nov 15;239:109687. doi: 10.1016/j.neuropharm.2023.109687. Epub 2023 Aug 12. PMID: 37579871. 2: Liu H, Qin H, Zhou Y, Yuan Y, Liu Y, Chen Y, Yang Y, Ni H, Xi T, Zheng L. HET0016 attenuates the stemness of breast cancer cells through targeting CYP4Z1. Mol Carcinog. 2021 Jun;60(6):413-426. doi: 10.1002/mc.23302. Epub 2021 Apr 18. PMID: 33866606. 3: Miyata N, Taniguchi K, Seki T, Ishimoto T, Sato-Watanabe M, Yasuda Y, Doi M, Kametani S, Tomishima Y, Ueki T, Sato M, Kameo K. HET0016, a potent and selective inhibitor of 20-HETE synthesizing enzyme. Br J Pharmacol. 2001 Jun;133(3):325-9. doi: 10.1038/sj.bjp.0704101. PMID: 11375247; PMCID: PMC1572803. 4: Jain M, Gamage NH, Alsulami M, Shankar A, Achyut BR, Angara K, Rashid MH, Iskander A, Borin TF, Wenbo Z, Ara R, Ali MM, Lebedyeva I, Chwang WB, Guo A, Bagher-Ebadian H, Arbab AS. Intravenous Formulation of HET0016 Decreased Human Glioblastoma Growth and Implicated Survival Benefit in Rat Xenograft Models. Sci Rep. 2017 Jan 31;7:41809. doi: 10.1038/srep41809. PMID: 28139732; PMCID: PMC5282583. 5: Borin TF, Shankar A, Angara K, Rashid MH, Jain M, Iskander A, Ara R, Lebedyeva I, Korkaya H, Achyut BR, Arbab AS. HET0016 decreases lung metastasis from breast cancer in immune-competent mouse model. PLoS One. 2017 Jun 13;12(6):e0178830. doi: 10.1371/journal.pone.0178830. PMID: 28609459; PMCID: PMC5469456. 6: Qin J, Chen X, Wang R, Tian Z, Li Y, Shu S. Reactive oxygen species- responsive HET0016 prodrug-loaded liposomes attenuate neuroinflammation and improve neurological deficit in a rat model of juvenile traumatic brain injury. Front Neurosci. 2023 Mar 22;17:1153349. doi: 10.3389/fnins.2023.1153349. PMID: 37034179; PMCID: PMC10073507. 7: Liu Y, Wang D, Wang H, Qu Y, Xiao X, Zhu Y. The protective effect of HET0016 on brain edema and blood-brain barrier dysfunction after cerebral ischemia/reperfusion. Brain Res. 2014 Jan 28;1544:45-53. doi: 10.1016/j.brainres.2013.11.031. Epub 2013 Dec 6. PMID: 24316243. 8: Borin TF, Zuccari DA, Jardim-Perassi BV, Ferreira LC, Iskander AS, Varma NR, Shankar A, Guo AM, Scicli G, Arbab AS. HET0016, a selective inhibitor of 20-HETE synthesis, decreases pro-angiogenic factors and inhibits growth of triple negative breast cancer in mice. PLoS One. 2014 Dec 30;9(12):e116247. doi: 10.1371/journal.pone.0116247. PMID: 25549350; PMCID: PMC4280215. 9: Mu Y, Klamerus MM, Miller TM, Rohan LC, Graham SH, Poloyac SM. Intravenous formulation of N-hydroxy-N'-(4-n-butyl-2-methylphenyl)formamidine (HET0016) for inhibition of rat brain 20-hydroxyeicosatetraenoic acid formation. Drug Metab Dispos. 2008 Nov;36(11):2324-30. doi: 10.1124/dmd.108.023150. Epub 2008 Aug 25. PMID: 18725506; PMCID: PMC2659781. 10: Poloyac SM, Zhang Y, Bies RR, Kochanek PM, Graham SH. Protective effect of the 20-HETE inhibitor HET0016 on brain damage after temporary focal ischemia. J Cereb Blood Flow Metab. 2006 Dec;26(12):1551-61. doi: 10.1038/sj.jcbfm.9600309. Epub 2006 Mar 29. PMID: 16570075.