MitoEbselen-2 (chloride)

CAT: 0804-HY-139381-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-139381-01Size:5 mg

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Description

MitoEbselen-2 chloride (MitoPeroxidase 2), a mitochondria-targeted mimic of glutathione peroxidase, is a radiation mitigator. MitoEbselen-2 chloride is effective in reducing lipid hydroperoxides, preventing apoptotic cell death[1].

CAS Number

1638973-78-0

Product Name Alternative

MitoPeroxidase 2

UNSPSC

12352005

Target

Apoptosis

Type

Reference compound

Related Pathways

Apoptosis

Field of Research

Metabolic Disease

Assay Protocol

https://www.medchemexpress.com/mitoebselen-2-chloride.html

Purity

97.0

Solubility

DMSO : 50 mg/mL (ultrasonic)

Smiles

O=C(NCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=C(N5[Se]C6=C(C=CC=C6)C5=O)C=C4.[Cl-]

Molecular Formula

C35H30ClN2O2PSe

Molecular Weight

656.01

References & Citations

[1]Stoyanovsky DA, et, al. Design and Synthesis of a Mitochondria-Targeted Mimic of Glutathione Peroxidase, MitoEbselen-2, as a Radiation Mitigator. ACS Med Chem Lett. 2014 Nov 18;5 (12) :1304-1307.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C (Powder, protect from light, stored under nitrogen)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

MitoEbselen-2

CAS Number	1638973-78-0
PubChem CID	154730924
IUPAC Name	2-[[2-[4-(3-oxo-1,2-benzoselenazol-2-yl)phenyl]acetyl]amino]ethyl-triphenylphosphanium chloride
Molecular Formula	C35H30ClN2O2PSe
Molecular Weight	656.0
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Heavy Atom Count	42
Formal Charge	0
Complexity	813

SMILES

C1=CC=C(C=C1)[P+](CCNC(=O)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4[Se]3)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]

InChI

InChI=1S/C35H29N2O2PSe.ClH/c38-34(26-27-20-22-28(23-21-27)37-35(39)32-18-10-11-19-33(32)41-37)36-24-25-40(29-12-4-1-5-13-29,30-14-6-2-7-15-30)31-16-8-3-9-17-31;/h1-23H,24-26H2;1H

InChIKey

RWZPPTYDYPSPOY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1638973-78-0

CID: 154730924

Formula: C35H30ClN2O2PSe

MW: 656.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	656.0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	656.08986
Monoisotopic Mass	656.08986
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	813
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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MitoEbselen-2 (chloride)

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