D-ribo-Fitosfingosina - Moligand™, ≥98% , CAS No.554-62-1

CAS: 554-62-1 Cat. No.: D136389 Fórmula: C₁₈H₃₉NO₃ Peso molecular: 317.51 Beilstein Registry Number: 4(4)1906 Número CE: 439-210-6

GRAU & PUREZA 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

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

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.

Especificações

Sinónimos

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,

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

A fitoesfingosina é uma base esfingoide de cadeia longa que ocorre amplamente em leveduras, plantas e animais, incluindo mamíferos. Na levedura, está envolvida na mediação da resposta ao stress térmico, talvez através da ativação das proteínas quinases do

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488187666

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

Peso molecular

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
• Descrição: 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

Alvos associados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

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Jurkat (10389 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

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Candida albicans (78123 Activities)

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Nakaseomyces glabratus (9108 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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Endoglycoceramidase II (93 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO (Slightly, Heated), Methanol (Slightly), Pyridine (Slightly)
• Rotação específica [α]: 9° (C=1,Pyridine)
• Ponto de fusão (°C): 102°C(lit.)
• Peso molecular: 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