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Atractyloside potassium salt

CAT: 0013-GTR19171246-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171246-01Size:1 mg
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Description
Atractyloside Dipotassium Salt is a potent inhibitor of oxidative phosphorylation that acts by specifically blocking mitochondrial adenine nucleotide translocase. This small molecule is widely used in both in vitro and in vivo research to study mitochondrial function, apoptosis, and cellular energy metabolism.
CAS Number
102130-43-8
Product Name Alternative
Transport, ADP/ATP, Atractyloside, Atractyloside Dipotassium Salt, Atractyloside potassium, Atractyloside potassium salt, chloride, channels, inhibit, mitochondrial, Inhibitor
Field of Research
Cell Biology, Epigenetics & Chromatin, Pharmacology & Drug Discovery, Signal Transduction
Purity
97.29% (May vary between batches)
Solubility
DMSO:250 mg/mL (311.34 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (6.23 mM) ; H2O:100 mg/mL (124.53 mM)
Smiles
[K+].[K+].CC (C) CC (=O) O[C@H]1[C@H] (O[C@@H]2CC ([C@H]3CC[C@@]45C[C@@H] (CC[C@H]4[C@]3 (C) C2) C (=C) [C@@H]5O) C ([O-]) =O) O[C@H] (CO) [C@@H] (OS ([O-]) (=O) =O) [C@@H]1OS (O) (=O) =O
Molecular Formula
C30H44K2O16S2
Molecular Weight
802.99
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dipotassium;[(2S,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate

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CAS Number102130-43-8
PubChem CID12299879
IUPAC Namedipotassium;[(2S,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate
Molecular FormulaC30H44K2O16S2
Molecular Weight803.0
Topological Polar Surface Area272
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Heavy Atom Count50
Formal Charge0
Complexity1440
SMILES
CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2C[C@H]([C@H]3CC[C@@]45C[C@@H](CC[C@H]4[C@@]3(C2)C)C(=C)[C@@H]5O)C(=O)O)CO)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+]
InChI
InChI=1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28+,29-,30-;;/m1../s1
InChIKey
IUCNQFHEWLYECJ-VCQILIGCSA-L
Chemical Structure
2D Structure
2D structure of Dipotassium;[(2S,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate
CAS: 102130-43-8
CID: 12299879
Formula: C30H44K2O16S2
MW: 803.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight803.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Exact Mass802.1344906
Monoisotopic Mass802.1344906
Topological Polar Surface Area272 Ų
Heavy Atom Count50
Formal Charge0
Complexity1440
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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