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OADS

CAT: 0804-HY-122732-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-122732-01Size:5 mg
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Description
OADS is a Chloride channel antiporter (ClC-ec1) inhibitor (IC50: 29 μM) . OADS specifically inhibits the ClC-ec1 antiporter but not the ClC-1 channel. OADS can be used for research of osteoporosis and neurodegenerative and cardiovascular diseases[1].
CAS Number
5970-15-0
UNSPSC
12352005
Target
Chloride Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Field of Research
Neurological Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/oads.html
Purity
98.25
Smiles
O=S(C1=CC(NC(CCCCCCC)=O)=CC=C1/C=C/C2=CC=C(NC(CCCCCCC)=O)C=C2S(=O)(O)=O)(O)=O
Molecular Formula
C30H42N2O8S2
Molecular Weight
622.79
References & Citations
[1]Howery AE, et al. A designed inhibitor of a CLC antiporter blocks function through a unique binding mode. Chem Biol. 2012 Nov 21;19 (11) :1460-70.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 4

Chemical Information

6,6'-(Ethene-1,2-diyl)bis(3-octanamidobenzenesulfonic acid)
CAS Number5970-15-0
PubChem CID49821690
IUPAC Name5-(octanoylamino)-2-[(E)-2-[4-(octanoylamino)-2-sulfophenyl]ethenyl]benzenesulfonic acid
Molecular FormulaC30H42N2O8S2
Molecular Weight622.8
XLogP6
Topological Polar Surface Area184
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count42
Formal Charge0
Complexity982
SMILES
CCCCCCCC(=O)NC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)NC(=O)CCCCCCC)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C30H42N2O8S2/c1-3-5-7-9-11-13-29(33)31-25-19-17-23(27(21-25)41(35,36)37)15-16-24-18-20-26(22-28(24)42(38,39)40)32-30(34)14-12-10-8-6-4-2/h15-22H,3-14H2,1-2H3,(H,31,33)(H,32,34)(H,35,36,37)(H,38,39,40)/b16-15+
InChIKey
JAHNTQOEVQQOSV-FOCLMDBBSA-N
Chemical Structure
2D Structure
2D structure of 6,6'-(Ethene-1,2-diyl)bis(3-octanamidobenzenesulfonic acid)
CAS: 5970-15-0
CID: 49821690
Formula: C30H42N2O8S2
MW: 622.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight622.8
XLogP36
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass622.23825865
Monoisotopic Mass622.23825865
Topological Polar Surface Area184 Ų
Heavy Atom Count42
Formal Charge0
Complexity982
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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