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1094042-01-9

1094042-01-9 Structure

1094042-01-9 Structure
IdentificationBack Directory
[Name]

2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride
[CAS]

1094042-01-9
[Synonyms]

CS-2567
CYM 5442
CYM 5442 HCl
CYM 5442;CYM-5442
CYM5442 , 1094042-01-9
CYM 5442 hydrochloride
2-(4-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanol
Ethanol, 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-
2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride
[Molecular Formula]

C23H27N3O4
[MDL Number]

MFCD12912402
[MOL File]

1094042-01-9.mol
[Molecular Weight]

409.48
Chemical PropertiesBack Directory
[Boiling point ]

617.5±65.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO: >5mg/mL
[form ]

A crystalline solid
[pka]

14.73±0.10(Predicted)
[color ]

Light yellow to light brown
[InChI]

1S/C23H27N3O4/c1-3-28-20-11-8-15(14-21(20)29-4-2)23-25-22(26-30-23)18-7-5-6-17-16(18)9-10-19(17)24-12-13-27/h5-8,11,14,19,24,27H,3-4,9-10,12-13H2,1-2H3
[InChIKey]

NUIKTBLZSPQGCP-UHFFFAOYSA-N
[SMILES]

CCOc1ccc(cc1OCC)-c2nc(no2)-c3cccc4C(CCc34)NCCO
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

CYM 5442 is an extracellular lipid mediator whose major effects are mediated by G-protein-coupled receptors. These are important for vascular development.
[Definition]

ChEBI: CYM5442 is an oxadiazole and a ring assembly.
[Biochem/physiol Actions]

CYM-5442 is a highly-selective S1P1 (Spingosine 1-Phosphate Receptor 1) agonist that activates S1P1-dependent pathways in vitro and to levels of full efficacy in vivo through a hydrophobic pocket, separable from the orthosteric site of S1P binding that is headgroup dependent. This is a different site from those involved in the activities of other agonists such as FTY720 and SEW2871.
[in vivo]

CYM5442 (1 mg/kg; intraperitoneal injection; daily; for 5 days; adult male albino Wistar rats) treatment shows preserved visual function of visual evoked potentials (VEP). Retinal nerve fiber layer (RNFL) is significantly thicker in the CYM treated-animals compared to the vehicle[2].

Animal Model:Adult male albino Wistar rats (8-10 weeks old; 180-230 g) infected ocular endothelin-1 (ET-1)[2]
Dosage:1 mg/kg
Administration:Intraperitoneal injection; daily; for 5 days
Result:Visual evoked potentials (VEP) showed preserved visual function. Showed significantly higher retinal ganglion cells (RGCs) numbers.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride(1094042-01-9)1HNMR
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