Auranofin

CAT: 1568-C10100-01Size: 5 mgDry Ice: YesHazardous: No

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CAT#:1568-C10100-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

34031-32-8

Synonyms

SKF39162

SKU

C10100-1g

Target

Bacterial

Applications

Microbiology

Smiles

CCP (CC) CC.CC (=O) OCC1C (C (C (C (O1) [S-]) OC (=O) C) OC (=O) C) OC (=O) C.[Au+]

Molecular Formula

C20H34AuO9PS

Additionnal Information

Auranofin is an inhibitor of thioredoxin reductase (TrxR) with IC50 of 88 nM for purified H. pylori TrxR in cell-free assay. Auranofin has anti-cancer activity and can completely inhibit bacterial growth at 1.2 μM. Auranofin is an FDA-approved gold-containing compound used for the treatment of rheumatoid arthritis.

Storage Conditions

2 years -80 in solvent

Chemical Information

Auranofin

Auranofin can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	34031-32-8
PubChem CID	16667669
IUPAC Name	gold(1+);(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate;triethylphosphane
Molecular Formula	C20H34AuO9PS
Molecular Weight	678.5
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	12
Heavy Atom Count	32
Formal Charge	0
Complexity	532

SMILES

CCP(CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+]

InChI

InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1

InChIKey

AUJRCFUBUPVWSZ-XTZHGVARSA-M

Chemical Structure

2D Structure

CAS: 34031-32-8

CID: 16667669

Formula: C20H34AuO9PS

MW: 678.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	678.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	12
Exact Mass	678.132686
Monoisotopic Mass	678.132686
Topological Polar Surface Area	115 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	532
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-B1123-01	Auranofin

Auranofin

Chemical Information

Alternative Products

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