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Ecabet

CAT: 0804-HY-B0691Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-B0691Size:1 Each
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Description
Ecabet sodium (TA-2711) is currently applied to some clinical gastrointestinal disease by inhibiting the ROS production and improving Helicobacter pylori eradication[1]. Ecabet sodium reduces apoptosis[2]
CAS Number
33159-27-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Bacterial; Reactive Oxygen Species (ROS)
Type
Reference compound
Related Pathways
Anti-infection; Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/ecabet.html
Solubility
10 mM in DMSO
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
Molecular Formula
C20H28O5S
Molecular Weight
380.50
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.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Ecabet

Ecabet is a diterpenoid.

CAS Number33159-27-2
PubChem CID65781
IUPAC Name(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Molecular FormulaC20H28O5S
Molecular Weight380.5
XLogP4.3
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity666
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
InChI
InChI=1S/C20H28O5S/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)/t17-,19-,20-/m1/s1
InChIKey
IWCWQNVIUXZOMJ-MISYRCLQSA-N
Chemical Structure
2D Structure
2D structure of Ecabet
CAS: 33159-27-2
CID: 65781
Formula: C20H28O5S
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass380.16574516
Monoisotopic Mass380.16574516
Topological Polar Surface Area100 Ų
Heavy Atom Count26
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19186909-01Ecabet
MBS576618Ecabet Sodium
A14028-100Ecabet sodium 100mg
A14028-5Ecabet sodium 5mg
413988Ecabet Free Base
A14028-500Ecabet sodium 500mg
A14028-200Ecabet sodium 200mg
A14028-50Ecabet sodium 50mg
OR1030357-01Ecabet Sodium Hydrate
A14028-25Ecabet sodium 25mg

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