MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 463134 | Name: XJB-5-131
Featured

Description:

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

XJB-5-131 is a specific inhibitor of ferroptosis, rather than necroptosis and pyroptosis.

Chemical Structure

XJB-5-131
XJB-5-131
CAS#866404-31-1

Theoretical Analysis

MedKoo Cat#: 463134

Name: XJB-5-131

CAS#: 866404-31-1

Chemical Formula: C53H80N7O9•

Exact Mass: 958.6018

Molecular Weight: 959.26

Elemental Analysis: C, 66.36; H, 8.41; N, 10.22; O, 15.01

Price and Availability

Size Price Availability Quantity
5mg USD 1,250.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
XJB-5-131; XJB-5131; XJB-5 131; XJB5-131; XJB 5-131; XJB5131; XJB 5 131;
IUPAC/Chemical Name
Benzyl ((S)-4-((S)-2-((S)-1-((2S,5S,E)-2-benzyl-5-((tert-butoxycarbonyl)amino)-7-methyloct-3-enoyl)pyrrolidine-2-carboxamido)-3-methylbutanamido)-5-oxo-5-((2,2,6,6-tetramethyl-1-(l1-oxidaneyl)piperidin-4-yl)amino)pentyl)carbamate
InChi Key
VDQKIDYOPUMJGQ-VQPCLXHQSA-N
InChi Code
InChI=1S/C53H80N7O9/c1-35(2)30-40(56-50(66)69-51(5,6)7)27-26-39(31-37-20-14-12-15-21-37)48(64)59-29-19-25-43(59)46(62)58-44(36(3)4)47(63)57-42(24-18-28-54-49(65)68-34-38-22-16-13-17-23-38)45(61)55-41-32-52(8,9)60(67)53(10,11)33-41/h12-17,20-23,26-27,35-36,39-44H,18-19,24-25,28-34H2,1-11H3,(H,54,65)(H,55,61)(H,56,66)(H,57,63)(H,58,62)/b27-26+/t39-,40-,42+,43+,44+/m1/s1
SMILES Code
O=C(OCC1=CC=CC=C1)NCCC[C@H](NC([C@@H](NC([C@H]2N(C([C@@H](CC3=CC=CC=C3)/C=C/[C@@H](NC(OC(C)(C)C)=O)CC(C)C)=O)CCC2)=O)C(C)C)=O)C(NC4CC(C)(C)N([O])C(C)(C)C4)=O
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

Preparing Stock Solutions

The following data is based on the product molecular weight 959.26 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: Zhao Z, Wu J, Xu H, Zhou C, Han B, Zhu H, Hu Z, Ma Z, Ming Z, Yao Y, Zeng R, Xu G. XJB-5-131 inhibited ferroptosis in tubular epithelial cells after ischemia-reperfusion injury. Cell Death Dis. 2020 Aug 14;11(8):629. doi: 10.1038/s41419-020-02871-6. PMID: 32796819; PMCID: PMC7429848. 2: Rao VR, Lautz JD, Kaja S, Foecking EM, Lukács E, Stubbs EB Jr. Mitochondrial- Targeted Antioxidants Attenuate TGF-β2 Signaling in Human Trabecular Meshwork Cells. Invest Ophthalmol Vis Sci. 2019 Aug 1;60(10):3613-3624. doi: 10.1167/iovs.19-27542. PMID: 31433458. 3: Cheikhi A, Wallace C, St Croix C, Cohen C, Tang WY, Wipf P, Benos PV, Ambrosio F, Barchowsky A. Mitochondria are a substrate of cellular memory. Free Radic Biol Med. 2019 Jan;130:528-541. doi: 10.1016/j.freeradbiomed.2018.11.028. Epub 2018 Nov 22. PMID: 30472365. 4: Seminotti B, Leipnitz G, Karunanidhi A, Kochersperger C, Roginskaya VY, Basu S, Wang Y, Wipf P, Van Houten B, Mohsen AW, Vockley J. Mitochondrial energetics is impaired in very long-chain acyl-CoA dehydrogenase deficiency and can be rescued by treatment with mitochondria-targeted electron scavengers. Hum Mol Genet. 2019 Mar 15;28(6):928-941. doi: 10.1093/hmg/ddy403. PMID: 30445591; PMCID: PMC6400046. 5: Robinson AR, Yousefzadeh MJ, Rozgaja TA, Wang J, Li X, Tilstra JS, Feldman CH, Gregg SQ, Johnson CH, Skoda EM, Frantz MC, Bell-Temin H, Pope-Varsalona H, Gurkar AU, Nasto LA, Robinson RAS, Fuhrmann-Stroissnigg H, Czerwinska J, McGowan SJ, Cantu-Medellin N, Harris JB, Maniar S, Ross MA, Trussoni CE, LaRusso NF, Cifuentes-Pagano E, Pagano PJ, Tudek B, Vo NV, Rigatti LH, Opresko PL, Stolz DB, Watkins SC, Burd CE, Croix CMS, Siuzdak G, Yates NA, Robbins PD, Wang Y, Wipf P, Kelley EE, Niedernhofer LJ. Spontaneous DNA damage to the nuclear genome promotes senescence, redox imbalance and aging. Redox Biol. 2018 Jul;17:259-273. doi: 10.1016/j.redox.2018.04.007. Epub 2018 Apr 13. PMID: 29747066; PMCID: PMC6006678. 6: Polyzos AA, Wood NI, Williams P, Wipf P, Morton AJ, McMurray CT. XJB-5-131-mediated improvement in physiology and behaviour of the R6/2 mouse model of Huntington's disease is age- and sex- dependent. PLoS One. 2018 Apr 9;13(4):e0194580. doi: 10.1371/journal.pone.0194580. PMID: 29630611; PMCID: PMC5890981. 7: Epperly MW, Sacher JR, Krainz T, Zhang X, Wipf P, Liang M, Fisher R, Li S, Wang H, Greenberger JS. Effectiveness of Analogs of the GS-Nitroxide, JP4-039, as Total Body Irradiation Mitigators. In Vivo. 2017 Jan 2;31(1):39-43. doi: 10.21873/invivo.11022. PMID: 28064218; PMCID: PMC5267945. 8: Krainz T, Gaschler MM, Lim C, Sacher JR, Stockwell BR, Wipf P. A Mitochondrial-Targeted Nitroxide Is a Potent Inhibitor of Ferroptosis. ACS Cent Sci. 2016 Sep 28;2(9):653-659. doi: 10.1021/acscentsci.6b00199. Epub 2016 Sep 7. PMID: 27725964; PMCID: PMC5043442. 9: Jang S, Lewis TS, Powers C, Khuchua Z, Baines CP, Wipf P, Javadov S. Elucidating Mitochondrial Electron Transport Chain Supercomplexes in the Heart During Ischemia-Reperfusion. Antioxid Redox Signal. 2017 Jul 1;27(1):57-69. doi: 10.1089/ars.2016.6635. Epub 2016 Nov 11. PMID: 27604998; PMCID: PMC5488255. 10: Polyzos A, Holt A, Brown C, Cosme C, Wipf P, Gomez-Marin A, Castro MR, Ayala-Peña S, McMurray CT. Mitochondrial targeting of XJB-5-131 attenuates or improves pathophysiology in HdhQ150 animals with well-developed disease phenotypes. Hum Mol Genet. 2016 May 1;25(9):1792-802. doi: 10.1093/hmg/ddw051. Epub 2016 Feb 21. PMID: 26908614; PMCID: PMC4986333. 11: Javadov S, Jang S, Rodriguez-Reyes N, Rodriguez-Zayas AE, Soto Hernandez J, Krainz T, Wipf P, Frontera W. Mitochondria-targeted antioxidant preserves contractile properties and mitochondrial function of skeletal muscle in aged rats. Oncotarget. 2015 Nov 24;6(37):39469-81. doi: 10.18632/oncotarget.5783. PMID: 26415224; PMCID: PMC4741839. 12: Kim JC, Mirkin SM. Putting the Brakes on Huntington Disease in a Mouse Experimental Model. PLoS Genet. 2015 Aug 6;11(8):e1005409. doi: 10.1371/journal.pgen.1005409. PMID: 26247607; PMCID: PMC4527745. 13: Budworth H, Harris FR, Williams P, Lee DY, Holt A, Pahnke J, Szczesny B, Acevedo-Torres K, Ayala-Peña S, McMurray CT. Suppression of Somatic Expansion Delays the Onset of Pathophysiology in a Mouse Model of Huntington's Disease. PLoS Genet. 2015 Aug 6;11(8):e1005267. doi: 10.1371/journal.pgen.1005267. PMID: 26247199; PMCID: PMC4527696. 14: Ma J, Lim C, Sacher JR, Van Houten B, Qian W, Wipf P. Mitochondrial targeted β-lapachone induces mitochondrial dysfunction and catastrophic vacuolization in cancer cells. Bioorg Med Chem Lett. 2015 Nov 1;25(21):4828-4833. doi: 10.1016/j.bmcl.2015.06.073. Epub 2015 Jun 26. PMID: 26159482; PMCID: PMC4607627. 15: Nesbitt KM, Varner EL, Jaquins-Gerstl A, Michael AC. Microdialysis in the rat striatum: effects of 24 h dexamethasone retrodialysis on evoked dopamine release and penetration injury. ACS Chem Neurosci. 2015 Jan 21;6(1):163-73. doi: 10.1021/cn500257x. Epub 2014 Dec 22. PMID: 25491242; PMCID: PMC4304486. 16: Escobales N, Nuñez RE, Jang S, Parodi-Rullan R, Ayala-Peña S, Sacher JR, Skoda EM, Wipf P, Frontera W, Javadov S. Mitochondria-targeted ROS scavenger improves post-ischemic recovery of cardiac function and attenuates mitochondrial abnormalities in aged rats. J Mol Cell Cardiol. 2014 Dec;77:136-46. doi: 10.1016/j.yjmcc.2014.10.009. Epub 2014 Oct 23. PMID: 25451170; PMCID: PMC4312194. 17: Goff JP, Shields DS, Wang H, Skoda EM, Sprachman MM, Wipf P, Garapati VK, Atkinson J, London B, Lazo JS, Kagan V, Epperly MW, Greenberger JS. Evaluation of potential ionizing irradiation protectors and mitigators using clonogenic survival of human umbilical cord blood hematopoietic progenitor cells. Exp Hematol. 2013 Nov;41(11):957-66. doi: 10.1016/j.exphem.2013.08.001. Epub 2013 Aug 7. PMID: 23933481; PMCID: PMC3834150. 18: Nesbitt KM, Jaquins-Gerstl A, Skoda EM, Wipf P, Michael AC. Pharmacological mitigation of tissue damage during brain microdialysis. Anal Chem. 2013 Sep 3;85(17):8173-9. doi: 10.1021/ac401201x. Epub 2013 Aug 20. PMID: 23927692; PMCID: PMC3799822. 19: Nasto LA, Robinson AR, Ngo K, Clauson CL, Dong Q, St Croix C, Sowa G, Pola E, Robbins PD, Kang J, Niedernhofer LJ, Wipf P, Vo NV. Mitochondrial-derived reactive oxygen species (ROS) play a causal role in aging-related intervertebral disc degeneration. J Orthop Res. 2013 Jul;31(7):1150-7. doi: 10.1002/jor.22320. Epub 2013 Feb 6. PMID: 23389888; PMCID: PMC3668354. 20: Parks L. Promising compound targets mitochondria in Huntington's disease. Future Med Chem. 2013 Jan;5(1):18. PMID: 23379025.