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SML2982

XJB-5-131

≥95% (HPLC)

Synonym(s):

1-[(2S,3E,5S)-5-[[(1,1-Dimethylethoxy)carbonyl]amino]-7-methyl-1-oxo-2-(phenylmethyl)-3-octen-1-yl]-L-prolyl-L-valyl-N5-[(phenylmethoxy)carbonyl]-N-(2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)-L-ornithinamide, Boc-Leu-Ψ[€-CH=CH]-D-Phe-Pro-Val-Orn(Cbz)-TEMPO, XJB 5-131

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About This Item

Empirical Formula (Hill Notation):
C53H80N7O9
CAS Number:
866404-31-1
Molecular Weight:
959.24
UNSPSC Code:
12352200
NACRES:
NA.77
Assay:
≥95% (HPLC)
Form:
film or powder
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Quality Segment

assay

≥95% (HPLC)

form

film or powder

color

white to beige

storage temp.

2-8°C

SMILES string

CC(C)(C)OC(N[C@@H](CC(C)C)/C=C/[C@H](CC1=CC=CC=C1)C(N2CCC[C@H]2C(N[C@@H](C(C)C)C(N[C@@H](CCCNC(OCC3=CC=CC=C3)=O)C(NC4CC(C)(N([O])C(C)(C4)C)C)=O)=O)=O)=O)=O

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/h12-17,20-23,26-27,35-36,39-44

InChI key

VDQKIDYOPUMJGQ-VQPCLXHQSA-N

Biochem/physiol Actions

Mitochondrial-targeted reactive oxygen species (ROS)-scavenging gramicidin S (GS)-nitroxide with in vitro and in vivo efficacy against damage by oxidative stress.
XJB-5-131 is a mitochrondria-targeted electron-/reactive oxygen species (ROS)-scavenging GS-nitroxide composed of 4-amino-TEMPO and the gramicidin S (GS)-derived peptide Boc-Leu-Ψ[€-CH=CH]-D-Phe-Pro-Val-Orn(Cbz). XJB-5-131 offers 39-fold greater anti-ferroptotic efficacy than JP4-039 in HT-1080 cultures (100% viability with 200 nM XJB-5-131 against ferroptosis induction by 10 μM FINO2) and is a widely employed mitochondrial antioxidant both in cultures (typical range: 40 nM-2 μM) and in animal dissease models in vivo (e.g. 2 mg/kg via ip.or iv.; mice & rats).

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

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