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Ecabet (sodium)

CAT: 0804-HY-B0691A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0691A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ecabet sodium (TA-2711) is currently applied to some gastrointestinal disease by inhibiting the ROS production and improving Helicobacter pylori eradication[1]. Ecabet sodium reduces apoptosis[2].
CAS Number
86408-72-2
Product Name Alternative
TA-2711
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H332-H335
Target
Apoptosis; Bacterial; Reactive Oxygen Species (ROS)
Type
Reference compound
Related Pathways
Anti-infection; Apoptosis; Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Applications
Neuroscience-Neurodegeneration
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/ecabet-sodium.html
Concentration
10mM
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C([C@]1(C)CCC[C@]2(C)C3=C(CC[C@@]12[H])C=C(C(C)C)C(S(=O)(O)=O)=C3)O[Na]
Molecular Formula
C20H27NaO5S
Molecular Weight
402.48
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Wang Y, et al. Efficacy and safety of ecabet sodium as an adjuvant therapy for Helicobacter pylori eradication: a systematic review and meta-analysis. Helicobacter. 2014 Oct;19 (5) :372-81.|[2]Rah YC, et al. Ecabet sodium alleviates neomycin-induced hair cell damage. Free Radic Biol Med. 2015 Dec;89:1176-83.|[3]Kenji Kusumoto, et al. Ecabet sodium inhibits Helicobacter pylori lipopolysaccharide-induced activation of NADPH oxidase 1 or apoptosis of guinea pig gastric mucosal cells. Am J Physiol Gastrointest Liver Physiol
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Ecabet sodium
CAS Number86408-72-2
PubChem CID23663982
IUPAC Namesodium (4bS,8R,8aR)-8-carboxy-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonate
Molecular FormulaC20H27NaO5S
Molecular Weight402.5
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity672
SMILES
CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C20H28O5S.Na/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25;/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25);/q;+1/p-1/t17-,19-,20-;/m1./s1
InChIKey
RCVIHORGZULVTN-YGJXXQMASA-M
Chemical Structure
2D Structure
2D structure of Ecabet sodium
CAS: 86408-72-2
CID: 23663982
Formula: C20H27NaO5S
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass402.14768941
Monoisotopic Mass402.14768941
Topological Polar Surface Area103 Ų
Heavy Atom Count27
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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A14028-5Ecabet sodium 5mg
A14028-500Ecabet sodium 500mg
A14028-200Ecabet sodium 200mg
A14028-50Ecabet sodium 50mg
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