1-Oleoyl-2-acetyl-sn-glycerol - ≥95%, oil , CAS No.86390-77-4

CAS: 86390-77-4 Cat. No.: O464375 Molecular Weight: 398.57

GRADE & PURITY ≥95%, oil

Synonyms

HMS3402G05 | SR-01000946570-1 | [(2S)-2-acetyloxy-3-hydroxypropyl] (Z)-octadec-9-enoate | BSPBio_001403 | SR-01000946570 | NCGC00161334-01 | 1-Oleoyl-2-acetyl-sn-glycerol - CAS 86390-77-4 | 1-O-9Z-Octadecenoyl-2-O-acetyl-sn-glycerol | 2-Acetyl-1-oleoyl-sn

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

Synonyms

HMS3402G05 | SR-01000946570-1 | [(2S)-2-acetyloxy-3-hydroxypropyl] (Z)-octadec-9-enoate | BSPBio_001403 | SR-01000946570 | NCGC00161334-01 | 1-Oleoyl-2-acetyl-sn-glycerol - CAS 86390-77-4 | 1-O-9Z-Octadecenoyl-2-O-acetyl-sn-glycerol | 2-Acetyl-1-oleoyl-sn

Specifications & Purity

≥95%, oil

Biochemical and Physiological Mechanisms

1-Oleoyl-2-acetyl-sn-glycerol is a synthetic, cell permeable diacylglycerol analog. It is often used as an activator of calcium-dependent protein kinase C (PKC).

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Action Type

ACTIVATOR

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(C)=O
• IUPAC Name: [(2S)-2-acetyloxy-3-hydroxypropyl] (Z)-octadec-9-enoate
• InChIKey: PWTCCMJTPHCGMS-YRBAHSOBSA-N
• INCHI: 1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3/b11-10-/t22-/m0/s1
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)C
• Molecular Weight: 398.57
• Reaxy-Rn: 34338416
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34338416&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerolipids
      • Subclass Diradylglycerols
        • Level5 Diacylglycerols
          • Level6 1,2-diacylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerolipids
• Subclass: Diradylglycerols
• Intermediate Tree Nodes: Diacylglycerols
• Direct Parent: 1,2-diacylglycerols
• Alternative Parents: Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-acyl-sn-glycerol - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2.
• 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)

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: ethanol: 20mg/mL (lit.)(lit.); DMSO: soluble (lit.)(lit.)
• Sensitivity: Isomerization may occur during storage or during solution formation.
• Molecular Weight: 398.600 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 21
• Exact Mass: 398.303 Da
• Monoisotopic Mass: 398.303 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 406.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1