2,3-Didocecanoyl-sn-glycero-1-phosphocholine , CAS No.127641-86-5

CAS: 127641-86-5 Cat. No.: D352760 Peso molecular: 621.83

Synonyms

BDBM50467998 | IJFVSSZAOYLHEE-SSEXGKCCSA-N | 1,2-didodecanoyl-sn-phosphatidylcholine | A909168 | DLPC, R- | 1,2-didodeca-noyl-sn-glycero-3-phosphocholine | 1,2-Didodecanoyl-sn-glycero-3-phosphocholine | DLPC, L- | SCHEMBL44308 | (7R)-4-Hydroxy-N,N,N-trime

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

BDBM50467998 | IJFVSSZAOYLHEE-SSEXGKCCSA-N | 1, 2-didodecanoyl-sn-phosphatidylcholine | A909168 | DLPC, R- | 1, 2-didodeca-noyl-sn-glycero-3-phosphocholine | 1, 2-Didodecanoyl-sn-glycero-3-phosphocholine | DLPC, L- | SCHEMBL44308 | (7R)-4-Hydroxy-N, N, N-trime

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
• IUPAC Name: [(2R)-2,3-di(dodecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
• InChIKey: IJFVSSZAOYLHEE-SSEXGKCCSA-N
• INCHI: 1S/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/t30-/m1/s1
• Isómeros SMILES: CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
• Peso molecular: 621.83
• Reaxy-Rn: 6773601
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6773601&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Glycerophospholipids
      • Subclass Glycerophosphocholines

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Glycerophospholipids
• Subclass: Glycerophosphocholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphatidylcholines
• Alternative Parents: Phosphocholines Fatty acid esters Dialkyl phosphates Dicarboxylic acids and derivatives Tetraalkylammonium salts Carboxylic acid esters Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Diacylglycero-3-phosphocholine - Phosphocholine - Fatty acid ester - Dialkyl phosphate - Dicarboxylic acid or derivatives - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Fatty acyl - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Amine - Organic salt - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage.
• External Descriptors: Diacylglycerophosphocholines

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

Objetivos asociados (humanos)

NR5A2 Tchem Nuclear receptor subfamily 5 group A member 2 (1 Activities)

Discover Target: NR5A2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NR5A2 Tchem Orphan nuclear receptor LRH-1 (736 Activities)

Discover Target: NR5A2

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 621.800 g/mol
• XLogP3: 9.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 32
• Exact Mass: 621.437 Da
• Monoisotopic Mass: 621.437 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 705.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Referencias

1. Yanzi Liang, Ruihuan Ding, Huihui Wang, Lanze Liu, Jibiao He, Yuping Tao, Zhenyu Zhao, Jie Zhang, Aiping Wang, Kaoxiang Sun, Youxin Li, Yanan Shi.  (2022)  Orally administered intelligent self-ablating nanoparticles: a new approach to improve drug cellular uptake and intestinal absorption.  DRUG DELIVERY,      [PMID:35037529] [10.1080/10717544.2021.2023704]