CYM 50260 - ≥98%(HPLC) , CAS No.1355026-60-6

CAS: 1355026-60-6 Cat. No.: C288779 Formula: C₁₄H₁₁Cl₃FNO₂ Molecular Weight: 350.6

GRADE & PURITY ≥98%(HPLC)

Synonyms

UNII-SK574R8X7V | 3-[2-[2,4-bis(chloranyl)phenoxy]ethoxy]-2-chloranyl-6-(fluoranylmethyl)pyridine | HY-108494 | Pyridine, 2-chloro-3-(2-(2,4-dichlorophenoxy)ethoxy)-6-(fluoromethyl)- | SR-02000000308-1 | AKOS024458288 | 2-chloro-3-[2-(2,4-dichlorophenoxy)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product description

CYM50260 is a potent and exquisitely selective sphingosine-1-phosphate 4 receptor (S1P4-R) agonist with an EC50 of 45 nM. CYM50260 displays no activity against S1P1-R, S1P2-R, S1P3-R and S1P5-R.

Specifications

Synonyms

UNII-SK574R8X7V | 3-[2-[2,4-bis(chloranyl)phenoxy]ethoxy]-2-chloranyl-6-(fluoranylmethyl)pyridine | HY-108494 | Pyridine, 2-chloro-3-(2-(2,4-dichlorophenoxy)ethoxy)-6-(fluoromethyl)- | SR-02000000308-1 | AKOS024458288 | 2-chloro-3-[2-(2,4-dichlorophenoxy)

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent sphingosine-1-phosphate receptor 4 (S1P4) agonist (EC50= 45 nM). Displays no activity at other S1P receptor subtypes (S1P1-3and S1P5) at concentrations up to 25μM.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

AGONIST

Purity

≥98%(HPLC)

Names and Identifiers

Pubchem Sid

504770398

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770398

Canonical Smiles

C1=CC(=C(C=C1Cl)Cl)OCCOC2=C(N=C(C=C2)CF)Cl

IUPAC Name

2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(fluoromethyl)pyridine

InChIKey

FHPOTBQOUBMMCI-UHFFFAOYSA-N

INCHI

1S/C14H11Cl3FNO2/c15-9-1-3-12(11(16)7-9)20-5-6-21-13-4-2-10(8-18)19-14(13)17/h1-4,7H,5-6,8H2

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)OCCOC2=C(N=C(C=C2)CF)Cl

Molecular Weight

350.6

Reaxy-Rn

22150661

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22150661&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers 2-halopyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Azacycle - Ether - Organoheterocyclic compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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)

S1PR4 Tclin Sphingosine 1-phosphate receptor 4 (2 Activities)

Discover Target: S1PR4

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

S1PR4 Tclin Sphingosine 1-phosphate receptor Edg-6 (1041 Activities)

Discover Target: S1PR4

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

S1PR3 Tclin Sphingosine 1-phosphate receptor Edg-3 (2543 Activities)

Discover Target: S1PR3

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

S1PR2 Tchem Sphingosine 1-phosphate receptor Edg-5 (1593 Activities)

Discover Target: S1PR2

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

S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)

Discover Target: S1PR1

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

S1PR5 Tclin Sphingosine 1-phosphate receptor Edg-8 (813 Activities)

Discover Target: S1PR5

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 35.06, Max Conc. mM: 100
• Molecular Weight: 350.600 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 348.984 Da
• Monoisotopic Mass: 348.984 Da
• Topological Polar Surface Area: 31.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 314.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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