1,2-dioleoyl-3-trimethylammonium-propane (chloride salt) - Moligand™, 10mM in DMSO , CAS No.132172-61-3

CAS: 132172-61-3 Cat. No.: D421240 Molecular Weight: 698.54

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

J-006134 | Nihonthrene Fast Orange R | HY-112754A | N-(2,3-Dioleoyloxy)propyl-N,N,N-trimethylammonium Chloride | 3R78UC794Z | SCHEMBL120377 | 1,2-Dioleoyl-3-trimethylammonium-propane,Chloride | 18:1 TAP (DOTAP), 1,2-dioleoyl-3-trimethylammonium-propane (c

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Application

228,229

Specifications

Synonyms

J-006134 | Nihonthrene Fast Orange R | HY-112754A | N-(2, 3-Dioleoyloxy)propyl-N, N, N-trimethylammonium Chloride | 3R78UC794Z | SCHEMBL120377 | 1, 2-Dioleoyl-3-trimethylammonium-propane, Chloride | 18:1 TAP (DOTAP), 1, 2-dioleoyl-3-trimethylammonium-propane (c

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

DOTAP chloride can be used to prepare liposomes without the use of auxiliary phospholipids. DOTAP chloride is soluble in dimethyl sulfoxide (DMSO) and ethanol, which can clarify its role as a transfection reagent.

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.

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: CCCCCCCCC=CCCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC.[Cl-]
• IUPAC Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethylazanium;chloride
• InChIKey: KSXTUUUQYQYKCR-LQDDAWAPSA-M
• INCHI: 1S/C42H80NO4.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-39-40(38-43(3,4)5)47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,40H,6-19,24-39H2,1-5H3;1H/q+1;/p-1/b22-20-,23-21-
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Cl-]
• Molecular Weight: 698.54
• Reaxy-Rn: 22197383
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22197383&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Tetraalkylammonium salts Carboxylic acid esters Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Organic chloride salt - Organic salt - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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)

Got2 Aspartate aminotransferase mitochondrial (49 Activities)

Discover Target: Got2

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 698.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 37
• Exact Mass: 697.578 Da
• Monoisotopic Mass: 697.578 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 754.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 2

XLogP3

References

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