ROMe - Moligand™ , Inhibitor of sphingosine kinase 2, CAS No.R613268, Inhibitor of sphingosine kinase 2

CAS: R613268 Cat. No.: R613268 PubChem CID: 71458556

GRADE & PURITY Moligand™

Synonyms

(R)-FTY720 methyl ether;(R)-FTY720-OMe

Storage

Room temperature

Specifications

Synonyms

(R)-FTY720 methyl ether;(R)-FTY720-OMe

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of sphingosine kinase 2

Names and Identifiers

• Canonical Smiles: CCCCCCCCc1ccc(cc1)CC[C@](COC)(CO)N
• IUPAC Name: (2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol
• InChIKey: YEYZALQTJCVXIJ-HXUWFJFHSA-N
• INCHI: 1S/C20H35NO2/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-15-20(21,16-22)17-23-2/h10-13,22H,3-9,14-17,21H2,1-2H3/t20-/m1/s1
• Isomeric SMILES: CCCCCCCCC1=CC=C(C=C1)CC[C@@](CO)(COC)N
• PubChem CID: 71458556

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Benzene and substituted derivatives 1,2-aminoalcohols Dialkyl ethers Primary alcohols Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Benzenoid - Monocyclic benzene moiety - 1,2-aminoalcohol - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• 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(Human)

SPHK2 Tchem Sphingosine kinase 2 (2 Activities)

Discover Target: SPHK2

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

SPHK2 Tchem Sphingosine kinase 2 (1579 Activities)

Discover Target: SPHK2

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

Mechanisms of Action