CYM50179 - Moligand™, ≥95% , CAS No.1355026-47-9

CAS: 1355026-47-9 Cat. No.: C651232 Summenformel: C₁₃H₉Br₂Cl₂NO₂ Molekulargewicht: 441.93 EG-Nummer: 802-751-7 PubChem CID: 44620892

QUALITÄT & REINHEIT Moligand™, ≥95%

Synonyms

CYM50179 | ML178 | ML-178 | CYM-5541; CYM 5541; CYM5541;ML249 | 2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine | 2,6-Dibromo-3-(2-(2,4-dichlorophenoxy)ethoxy)pyridine | 3-[2-[2,4-bis(chloranyl)phenoxy]ethoxy]-2,6-bis(bromanyl)pyridine | 2,6-Dibromo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

CYM50179 (compound 22n) is a potent and selective S1P4-R (Sphingosine-1-phosphate4 receptor) agonist with an EC 50 of 46 nM

Form:Solid

IC50& Target:S1PR4 46 nM (EC 50 )

Spezifikationen

Synonyme

CYM50179 | ML178 | ML-178 | CYM-5541; CYM 5541; CYM5541;ML249 | 2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine | 2,6-Dibromo-3-(2-(2,4-dichlorophenoxy)ethoxy)pyridine | 3-[2-[2,4-bis(chloranyl)phenoxy]ethoxy]-2,6-bis(bromanyl)pyridine | 2,6-Dibromo

Spezifikationen & Reinheit

Moligand™, ≥95%

Biochemische und physiologische Mechanismen

CYM50179 (compound 22n) is a potent and selective S1P4-R (Sphingosine-1-phosphate4 receptor) agonist with an EC 50 of 46 nM.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

AGONIST

Reinheit

≥95%

Product Line

C651232-1mg

Namen und Kennungen

Kanonisches Lächeln

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

IUPAC Name

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

InChIKey

KMGUBUXDNOMSRM-UHFFFAOYSA-N

INCHI

1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2

Isomere SMILES

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

PubChem CID

44620892

Molekulargewicht

441.93

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Polyhalopyridines Phenoxy compounds Phenol ethers Alkyl aryl ethers 2-halopyridines Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - 1,3-dichlorobenzene - Polyhalopyridine - Phenol ether - Alkyl aryl ether - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Azacycle - Ether - Organoheterocyclic compound - Organochloride - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 62.5 mg/mL (141.43 mM; Need ultrasonic)
• Molekulargewicht: 441.900 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 440.836 Da
• Monoisotopic Mass: 438.838 Da
• Topological Polar Surface Area: 31.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 302.000
• 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