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

CAS: 554-62-1 Cat. No.: D136389 分子式: C₁₈H₃₉NO₃ 分子量: 317.51 Beilstein Registry Number: 4(4)1906 EC番号: 439-210-6

グレード＆純度 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]|D-ribo-Phytosphingosine, 4-hydroxysphinganine (Saccharomyces Cerevisiae), powder|1,3,4-Octadecanetriol, 2-amino-, (2S,3S,4R)-|N-Dodecanoyl-NBD-phytosphingosine|phytosphingosine|t18:0|C18-Phytosphingosine|D-ribo-4-hydroxysphinganine (C18)|(2S,3S,4R)-2-aminooctadecane-1,3,4-triol|DS-phytosphingosine|SPHINGANINE, 4-D-HYDROXY|CYTOMIDE PGS|4R-hydroxasphinganine|4-R-hydroxyoctadecasphinganine|1,3,4-Octadecanetriol, 2-amino-, (2S-(2R*,3R*,4S*))-|C18-PHS|BIOMIDE PS|D-ribo-2-amino-1,3,4-Octadecanetriol|4R-hydroxysphinganine|PHYTOSPHINGOSINE [WHO-DD]|Phytosphingosin|Ahr 10282b;AHR-10282; AHR10282; AHR 10282;sodium bromfenac|phytosphingosine (C18)|D-Ribo-phytosphingosine|[2S-(2R*,3R*,4S*)]-2-amino-1,3,4-Octadecanetriol|4R-hydroxysphinganine (C18)|4D-Hydroxysphinganine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

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.

仕様

同義語

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] | D-ribo-Phytosphingosine, 4-hydroxysphinganine (Saccharomyces Cerevisiae), powder | 1,3,4-Octadecanetriol, 2-amino-, (2S,3S,4R)- | N-Dodecanoyl-NBD-phytosphingosi もっと見る

仕様と純度

Moligand™, ≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

パブケム・シド

488187666

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

分子量

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
    • 分類 Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,3-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: 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
• 説明: 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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作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO (Slightly, Heated), Methanol (Slightly), Pyridine (Slightly)
• 比旋光度［α］: 9° (C=1,Pyridine)
• 融点（°C）: 102°C(lit.)
• 分子量: 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