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ML-178

CAT: 0013-GTR19172894-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172894-01Size:2 mg
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Description
ML-178 is a potent and selective S1PR4 agonist with an EC50 of 46 nM, showing no activity against other S1P receptors at 25 μM. This tool compound is valuable for investigating S1PR4-specific signaling in immunological and inflammatory processes, both in cellular assays and in vivo models.
CAS Number
1355026-47-9
Product Name Alternative
Autoimmune diseases, CYM50179, CYM-50179, CYM 50179, Inhibitor, hrombocytopenia, inhibit, LPL Receptor, ML178, ML-178, ML 178, Lysophospholipid Receptor, viral infections
Field of Research
Pharmacology & Drug Discovery
Purity
95.92% (May vary between batches)
Solubility
DMSO:15 mg/mL (33.94 mM)
Smiles
Clc1ccc (OCCOc2ccc (Br) nc2Br) c (Cl) c1
Molecular Formula
C13H9Br2Cl2NO2
Molecular Weight
441.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

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

2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine is a dichlorobenzene.

CAS Number1355026-47-9
PubChem CID44620892
IUPAC Name2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine
Molecular FormulaC13H9Br2Cl2NO2
Molecular Weight441.9
XLogP5.8
Topological Polar Surface Area31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity302
SMILES
C1=CC(=C(C=C1Cl)Cl)OCCOC2=C(N=C(C=C2)Br)Br
InChI
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
InChIKey
KMGUBUXDNOMSRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine
CAS: 1355026-47-9
CID: 44620892
Formula: C13H9Br2Cl2NO2
MW: 441.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.9
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass440.83566
Monoisotopic Mass438.83771
Topological Polar Surface Area31.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity302
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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