Eact - ≥99%(HPLC) , CAS No.461000-66-8

CAS: 461000-66-8 Cat. No.: E287253 Molecular Weight: 428.5 EC Number: 809-319-7

GRADE & PURITY ≥99%(HPLC)

Synonyms

E73447 | Eact | SY327033 | MS-27589 | 3,4,5-trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide | AKOS000711414 | Eact, >=98% (HPLC) | Oprea1_440202 | DTXSID701346745 | NCGC00379224-02 | MFCD03115431 | 3,4,5-trimethoxy-N-(2-methoxyethyl)-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

E73447 | Eact | SY327033 | MS-27589 | 3, 4, 5-trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1, 3-thiazol-2-yl)benzamide | AKOS000711414 | Eact, >=98% (HPLC) | Oprea1_440202 | DTXSID701346745 | NCGC00379224-02 | MFCD03115431 | 3, 4, 5-trimethoxy-N-(2-methoxyethyl)-

Specifications & Purity

≥99%(HPLC)

Biochemical and Physiological Mechanisms

TMEM16A (ANO1) calcium-activated chloride channel (CaCC) activator (EC50= 3μM). Also transient receptor potential vanilloid 1 (TRPV1) channel activator (EC50= 11.6 μM). Ca2+-independent. Displays no effect on CFTR Cl-or ENaC Na+conductance. Stimulates sub

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

ACTIVATOR

Purity

≥99%(HPLC)

Names and Identifiers

• Canonical Smiles: COCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
• IUPAC Name: 3,4,5-trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
• InChIKey: ZUXNHFFVQWADJL-UHFFFAOYSA-N
• INCHI: 1S/C22H24N2O5S/c1-26-11-10-24(22-23-17(14-30-22)15-8-6-5-7-9-15)21(25)16-12-18(27-2)20(29-4)19(13-16)28-3/h5-9,12-14H,10-11H2,1-4H3
• Isomeric SMILES: COCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
• WGK Germany: 3
• Molecular Weight: 428.5
• Reaxy-Rn: 23342536
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23342536&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 2,4-disubstituted thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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: 42.85, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 4.29, Max Conc. mM: 10
• Molecular Weight: 428.500 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 428.141 Da
• Monoisotopic Mass: 428.141 Da
• Topological Polar Surface Area: 98.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 520.000
• 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

References

1. Xue Bai, Yinuo Liu, Yuchen Cao, Zhouye Ma, Yue Chen, Shuai Guo.  (2024)  Exploring the potential of cryptochlorogenic acid as a dietary adjuvant for multi-target combined lung cancer treatment.  PHYTOMEDICINE,      [PMID:39053244] [10.1016/j.phymed.2024.155907]