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

CAS: 461000-66-8 Cat. No.: E287253 분자식: C₂₂H₂₄N₂O₅S 분자량: 428.5 EC 번호: 809-319-7

등급 & 순도 ≥99%(HPLC)

Synonyms

Eact|3,4,5-trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide|3,4,5-trimethoxy-N-(2-methoxyethyl)-N-(4-phenylthiazol-2-yl)benzamide|3,4,5-Trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-2-thiazolyl)benzamide|3,4,5-Trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-2-thiazolyl)-benzamide

Storage

Store at 2-8°C

Shipped In

Wet ice

사양

동의어

Eact | 3,4,5-trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide | 3,4,5-trimethoxy-N-(2-methoxyethyl)-N-(4-phenylthiazol-2-yl)benzamide | 3,4,5-Trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-2-thiazolyl)benzamide | 3,4,5-Trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-2-thiazolyl)-benzamide

사양 및 순도

≥99%(HPLC)

생화학 및 생리적 메커니즘

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

보관 조건

Store at 2-8°C

배송

Wet ice

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작업 유형

ACTIVATOR

순수함

≥99%(HPLC)

이름과 식별자

정식 스마일

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

이성체 SMILES

COCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

WGK 독일

3

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 42.85, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 4.29, Max Conc. mM: 10
• 분자량: 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