ChemicalBook--->CAS DataBase List--->120005-55-2

120005-55-2

120005-55-2 Structure

120005-55-2 Structure
IdentificationBack Directory
[Name]

CAY10621
[CAS]

120005-55-2
[Synonyms]

SKI 5C
CAY10621
SPHK1 Inhibitor 5C
YGBSGZPIDCXNEH-QFIPXVFZSA-N
2,2-Dimethyl-4S-(1-oxo-2-hexadecyn-1-yl)-1,1-dimethylethyl ester-3-oxazolidinecarboxylic acid
[Molecular Formula]

C26H45NO4
[MDL Number]

MFCD18428021
[MOL File]

120005-55-2.mol
[Molecular Weight]

435.64
Chemical PropertiesBack Directory
[Boiling point ]

519.0±60.0 °C(Predicted)
[density ]

0.985±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMF: 3 mg/ml; DMSO: 2 mg/ml; Ethanol: 2.5 mg/ml
[form ]

oil
[pka]

-3.98±0.60(Predicted)
[color ]

colorless to light brown
[InChI]

1S/C26H45NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(28)22-21-30-26(5,6)27(22)24(29)31-25(2,3)4/h22H,7-18,21H2,1-6H3/t22-/m0/s1
[InChIKey]

YGBSGZPIDCXNEH-QFIPXVFZSA-N
[SMILES]

CCCCCCCCCCCCCC#CC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

SPHK 1 Inhibitor 5C is a selective inhibitor of SphK1.
[Definition]

ChEBI: 3-oxazolidinecarboxylic acid, 2,2-dimethyl-4-(1-oxo-2-hexadecyn-1-yl)-, 1,1-dimethylethyl ester, (4s)- is a solanapyrone A.
[Biological Activity]

SKI 5C is a selective Sphingosine Kinase 1 (SPHK1) inhibitor.
[IC 50]

SphK1
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