Phytosphingosine - Moligand™, ≥98% , CAS No.554-62-1

CAS: 554-62-1 Cat. No.: D136389 Formule: C₁₈H₃₉NO₃ Poids moléculaire: 317.51 Beilstein Registry Number: 4(4)1906 Numéro CE: 439-210-6

QUALITÉ & PURETÉ Moligand™, ≥98%

Synonyms

4-D-Hydroxysphinganine | 4-D-hydroxy-Sphinganine | D-Ribo-1,3,4-trihydroxy-2-aminooctadecane | Hidroc Clora | 1,3,4-OCTADECANETRIOL, 2-AMINO-, D-RIBO- | PHYTOSPHINGOSINE [INCI] | SCHEMBL20110 | SR-05000002328-2 | UNII-GIN46U9Q2Q | D-ribo-Phytosphingosine,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Phytosphingosine is a phospholipid with anti-inflammatory, antibacterial, and anti-cancer activities, which can induce apoptosis. Phytosphingosine is an immune regulator and can be used in the study of inflammatory skin diseases. Phytosphingosine is also an activator of GPR120 with an IC50 value of 33.4 μM and can be used in the study of type II diabetes.

Spécifications

Synonymes

4-D-Hydroxysphinganine | 4-D-hydroxy-Sphinganine | D-Ribo-1,3,4-trihydroxy-2-aminooctadecane | Hidroc Clora | 1,3,4-OCTADECANETRIOL, 2-AMINO-, D-RIBO- | PHYTOSPHINGOSINE [INCI] | SCHEMBL20110 | SR-05000002328-2 | UNII-GIN46U9Q2Q | D-ribo-Phytosphingosine,

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488187666

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187666

Sourires canoniques

CCCCCCCCCCCCCCC(C(C(CO)N)O)O

IUPAC Name

(2S,3S,4R)-2-aminooctadecane-1,3,4-triol

InChIKey

AERBNCYCJBRYDG-KSZLIROESA-N

INCHI

1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1

Isomères SMILES

CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O

Poids moléculaire

317.51

Beilstein

4(4)1906

Reaxy-Rn

1725300

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725300&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,3-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,3-aminoalcohols
• Alternative Parents: Secondary alcohols 1,2-aminoalcohols Polyols Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-aminoalcohol - Secondary alcohol - 1,2-aminoalcohol - Polyol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C3 atom.
• External Descriptors: 4-Hydroxysphinganines (Phytosphingosines)

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO (Slightly, Heated), Methanol (Slightly), Pyridine (Slightly)
• Rotation spécifique [α]: 9° (C=1,Pyridine)
• Point de fusion (°C): 102°C(lit.)
• Poids moléculaire: 317.500 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 317.293 Da
• Monoisotopic Mass: 317.293 Da
• Topological Polar Surface Area: 86.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 226.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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