XJB-5-131

CAT: 0013-GTR19188720-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19188720-02Size:50 mg

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Description

XJB-5-131 is a synthetic, mitochondria-targeted antioxidant that scavenges reactive oxygen species (ROS) and free radicals. It has demonstrated protective effects against ionizing radiation in cord blood mononuclear cells (CB MNCs) in vitro, showing potential for research in radioprotection and oxidative stress.

CAS Number

866404-31-1

Field of Research

Immunology & Inflammation, Metabolism Research, Signal Transduction

Smiles

CC (C) C[C@H] (NC (=O) OC (C) (C) C) \C=C\[C@H] (Cc1ccccc1) C (=O) N1CCC[C@H]1C (=O) N[C@@H] (C (C) C) C (=O) N[C@@H] (CCCNC (=O) OCc1ccccc1) C (=O) NC1CC (C) (C) N (O) C (C) (C) C1

Molecular Formula

C53H80N7O9

Molecular Weight

959.263

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Xjb-5-131

XJB-5-131 is a peptidomimetic that is an inhibitor of ferroptosis and prevents the onset of motor decline in a mouse model for Huntington's disease. It has a role as a ferroptosis inhibitor, a radical scavenger, a peptidomimetic and a radiation protective agent. It is a secondary carboxamide, a tert-butyl ester, a L-ornithine derivative, a carbamate ester, a member of piperidines, a member of aminoxyls, an olefinic compound, a L-valine derivative, a L-proline derivative and a benzyl ester.

CAS Number	866404-31-1
PubChem CID	11693686
Molecular Formula	C53H80N7O9
Molecular Weight	959.2
XLogP	7.8
Topological Polar Surface Area	189
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	24
Heavy Atom Count	69
Formal Charge	0
Complexity	1700

SMILES

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

InChI

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

InChIKey

VDQKIDYOPUMJGQ-VQPCLXHQSA-N

Chemical Structure

2D Structure

CAS: 866404-31-1

CID: 11693686

Formula: C53H80N7O9

MW: 959.2

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	959.2
XLogP3	7.8
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	24
Exact Mass	958.60175215
Monoisotopic Mass	958.60175215
Topological Polar Surface Area	189 Å²
Heavy Atom Count	69
Formal Charge	0
Complexity	1700
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-129460-01	XJB-5-131
524210	AMG-131
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HY-168559	EGFR-IN-131
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XJB-5-131

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