CVT 10216 - ≥98%(HPLC) , CAS No.1005334-57-5

CAS: 1005334-57-5 Cat. No.: C286628 Molecular Weight: 465.48

GRADE & PURITY ≥98%(HPLC)

Synonyms

GS 455534 | CVT 10216 | CVT-10216 | AKOS025142057 | HY-19801 | GS455534 | F9H432757X | UNII-F9H432757X | 3-((3-(4-(methylsulfonamido)phenyl)-4-oxo-4h-chromen-7-yloxy)methyl)benzoic acid | AC-36335 | CVT 10216 | Q27277847 | CVT-10216, >=98% (HPLC) | Benzoi

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

GS 455534 | CVT 10216 | CVT-10216 | AKOS025142057 | HY-19801 | GS455534 | F9H432757X | UNII-F9H432757X | 3-((3-(4-(methylsulfonamido)phenyl)-4-oxo-4h-chromen-7-yloxy)methyl)benzoic acid | AC-36335 | CVT 10216 | Q27277847 | CVT-10216, >=98% (HPLC) | Benzoi

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

CVT 10216 has clear anxiolytic properties. It does not affect the inhibition of motor activity by mCPP (m-chlorophenylpiperazine). CVT 10216 is a selective and reversible inhibitor of aldehyde dehydrogenase 2 (ALDH-2), thereby inhibiting dopamine synthesi

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CS(=O)(=O)NC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC4=CC(=CC=C4)C(=O)O
• IUPAC Name: 3-[[3-[4-(methanesulfonamido)phenyl]-4-oxochromen-7-yl]oxymethyl]benzoic acid
• InChIKey: YYOOFJZTRCPVFD-UHFFFAOYSA-N
• INCHI: 1S/C24H19NO7S/c1-33(29,30)25-18-7-5-16(6-8-18)21-14-32-22-12-19(9-10-20(22)23(21)26)31-13-15-3-2-4-17(11-15)24(27)28/h2-12,14,25H,13H2,1H3,(H,27,28)
• Isomeric SMILES: CS(=O)(=O)NC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC4=CC(=CC=C4)C(=O)O
• Molecular Weight: 465.48
• Reaxy-Rn: 13071433
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13071433&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Isoflavonoids
      • Subclass Isoflav-2-enes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Isoflavonoids
• Subclass: Isoflav-2-enes
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoflavones
• Alternative Parents: Chromones Sulfanilides Benzoic acids Phenol ethers Benzoyl derivatives Pyranones and derivatives Alkyl aryl ethers Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoflavone - Chromone - Benzopyran - 1-benzopyran - Sulfanilide - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Organic sulfonic acid amide - Organosulfonic acid amide - Organosulfonic acid or derivatives - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 46.55, Max Conc. mM: 100; Solvent:1eq. NaOH, Max Conc. mg/mL: 23.27, Max Conc. mM: 50
• Molecular Weight: 465.500 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 465.088 Da
• Monoisotopic Mass: 465.088 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 857.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1