Tricetamide - ≥98% , Tyrosine-protein kinase JAK3 inhibitor, CAS No.363-20-2, Tyrosine-protein kinase JAK3 inhibitor

CAS: 363-20-2 Cat. No.: T670951 Molecular Weight: 324.37

GRADE & PURITY ≥98%

Synonyms

Tricetamide | D06219 | UNII-V6X0RFU7AF | N-(2-(Diethylamino)-2-oxoethyl)-3,4,5-trimethoxybenzamide | R-548 (TRICETAMIDE) | R-548 | N-3,4,5-Trimethoxybenzoylglycin-diethylamid | N-((Diethylcarbamoyl)methyl)-3,4,5-trimethoxybenzamide | DTXSID10189835 | Tric

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Tricetamide | D06219 | UNII-V6X0RFU7AF | N-(2-(Diethylamino)-2-oxoethyl)-3, 4, 5-trimethoxybenzamide | R-548 (TRICETAMIDE) | R-548 | N-3, 4, 5-Trimethoxybenzoylglycin-diethylamid | N-((Diethylcarbamoyl)methyl)-3, 4, 5-trimethoxybenzamide | DTXSID10189835 | Tric

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Mechanism of action

Tyrosine-protein kinase JAK3 inhibitor

Purity

≥98%

Product Properties

• ALogP: 1.4

Names and Identifiers

• Canonical Smiles: CCN(CC)C(=O)CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC
• IUPAC Name: N-[2-(diethylamino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
• InChIKey: NLRFFZRHTICQBO-UHFFFAOYSA-N
• INCHI: 1S/C16H24N2O5/c1-6-18(7-2)14(19)10-17-16(20)11-8-12(21-3)15(23-5)13(9-11)22-4/h8-9H,6-7,10H2,1-5H3,(H,17,20)
• Isomeric SMILES: CCN(CC)C(=O)CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC
• Molecular Weight: 324.37
• Reaxy-Rn: 2708816
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2708816&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Hippuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: Hippuric acids and derivatives
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
• 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

Chemical and Physical Properties

• Molecular Weight: 324.370 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 324.169 Da
• Monoisotopic Mass: 324.169 Da
• Topological Polar Surface Area: 77.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 373.000
• 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