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NCS-382 - ≥99%(HPLC), high purity , CAS No.520505-01-5

    Grade & Purity:
  • ≥99%(HPLC)
In stock
Item Number
N288724
Grouped product items
SKU Size
Availability
Price Qty
N288724-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$93.90
N288724-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$389.90

Antagonist of γ-hydroxybutyric acid

View related series
Ion channel (2197)

Basic Description

Synonyms Biomol-NT_000263 | AKOS024458646 | Fast Light Yellow 5GL | BRD-A67433117-001-01-8 | 2-[(6E)-5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylidene]acetic acid | Acetic acid, (5,7,8,9-tetrahydro-5-hydroxy-6H-benzocyclohepten-6-ylidene)- | (E)-2-(5-Hydro
Specifications & Purity ≥99%(HPLC)
Biochemical and Physiological Mechanisms γ-Hydroxybutyric acid antagonist, anticonvulsant.
Storage Temp Store at 2-8°C,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Not available
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Benzenoids
Alternative Parents Secondary alcohols  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic homopolycyclic compounds
Substituents Benzenoid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homopolycyclic compound
Description This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
External Descriptors Not available

Associated Targets(Human)

CAMK2A Tchem CaM kinase II alpha (1938 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Gamma-hydroxybutyrate receptor (68 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDCK (10148 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name (2E)-2-(5-hydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)acetic acid
INCHI InChI=1S/C13H14O3/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15)/b10-8+
InChIKey UADPGHINQMWEAG-CSKARUKUSA-N
Smiles C1CC2=CC=CC=C2C(C(=CC(=O)O)C1)O
Isomeric SMILES C1CC2=CC=CC=C2C(/C(=C/C(=O)O)/C1)O
Molecular Weight 218.25
Reaxy-Rn 8840113
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8840113&ln=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 21.83, Max Conc. mM: 100
Molecular Weight 218.250 g/mol
XLogP3 1.500
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 218.094 Da
Monoisotopic Mass 218.094 Da
Topological Polar Surface Area 57.500 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 296.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 1
Covalently-Bonded Unit Count 1

Solution Calculators

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