Glycerol phenylbutyrate - 10mM in DMSO , Glutamine sequestering agent, CAS No.611168-24-2, Glutamine sequestering agent

CAS: 611168-24-2 Cat. No.: G580408 Molecular Weight: 530.6 EC Number: 801-790-7

GRADE & PURITY 10mM in DMSO

Synonyms

Algal DHA | Glycerolphenylbutyrate | glycerol-phenylbutyrate | Glyceryl tri-(4-phenylbutyrate) | GLYCERYL TRI(4-PHENYLBUTYRATE) | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate | 1,3-bis[(4-phenylbutanoyl)oxy]propan-2-yl 4-phenyl

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

Algal DHA | Glycerolphenylbutyrate | glycerol-phenylbutyrate | Glyceryl tri-(4-phenylbutyrate) | GLYCERYL TRI(4-PHENYLBUTYRATE) | (2E, 6E)-3, 7, 11-trimethyldodeca-2, 6, 10-trien-1-yl trihydrogen diphosphate | 1, 3-bis[(4-phenylbutanoyl)oxy]propan-2-yl 4-phenyl

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

SEQUESTERING AGENT

Mechanism of action

Glutamine sequestering agent

Product Properties

• ALogP: 6.7

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)CCCC(=O)OCC(COC(=O)CCCC2=CC=CC=C2)OC(=O)CCCC3=CC=CC=C3
• IUPAC Name: 2,3-bis(4-phenylbutanoyloxy)propyl 4-phenylbutanoate
• InChIKey: ZSDBFLMJVAGKOU-UHFFFAOYSA-N
• INCHI: 1S/C33H38O6/c34-31(22-10-19-27-13-4-1-5-14-27)37-25-30(39-33(36)24-12-21-29-17-8-3-9-18-29)26-38-32(35)23-11-20-28-15-6-2-7-16-28/h1-9,13-18,30H,10-12,19-26H2
• Isomeric SMILES: C1=CC=C(C=C1)CCCC(=O)OCC(COC(=O)CCCC2=CC=CC=C2)OC(=O)CCCC3=CC=CC=C3
• Molecular Weight: 530.6
• Reaxy-Rn: 23716351
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23716351&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerolipids
      • Subclass Triradylcglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerolipids
• Subclass: Triradylcglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Triacylglycerols
• Alternative Parents: Tricarboxylic acids and derivatives Fatty acid esters Benzene and substituted derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triacyl-sn-glycerol - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
• 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: 530.600 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 20
• Exact Mass: 530.267 Da
• Monoisotopic Mass: 530.267 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 648.000
• 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