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154566-12-8

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154566-12-8 Structure

154566-12-8 Structure
IdentificationBack Directory
[Name]

SB 204990
[CAS]

154566-12-8
[Synonyms]

SB 204990
YTRNLFYTHYWDAU-KDOFPFPSSA-N
(3R,5S)-rel-5-[6-(2,4-Dichlorophenyl)hexyl]tetrahydro-3-hydroxy-2-oxo-3-furanacetic acid
2-((3R,5S)-5-(6-(2,4-dichlorophenyl)hexyl)-3-hydroxy-2-oxotetrahydrofuran-3-yl)acetic acid
3-Furanacetic acid, 5-[6-(2,4-dichlorophenyl)hexyl]tetrahydro-3-hydroxy-2-oxo-, (3R,5S)-rel-
[Molecular Formula]

C18H22Cl2O5
[MOL File]

154566-12-8.mol
[Molecular Weight]

389.27
Chemical PropertiesBack Directory
[Melting point ]

87-89 °C
[Boiling point ]

571.6±40.0 °C(Predicted)
[density ]

1.332±0.06 g/cm3(Predicted)
[solubility ]

DMF: 30 mg/ml; DMF:PBS(pH7.2) (1:2): 0.33 mg/ml; DMSO: 20 mg/ml; Ethanol: 1 mg/ml
[form ]

A crystalline solid
[pka]

4.33±0.10(Predicted)
[color ]

White to off-white
[InChI]

InChI=1/C18H22Cl2O5/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14-10-18(24,11-16(21)22)17(23)25-14/h7-9,14,24H,1-6,10-11H2,(H,21,22)/t14-,18+/s3
[InChIKey]

YTRNLFYTHYWDAU-RVFWCEGZNA-N
[SMILES]

O1[C@@H](CCCCCCC2=CC=C(Cl)C=C2Cl)C[C@@](O)(CC(O)=O)C1=O |&1:1,17,r|
Hazard InformationBack Directory
[Uses]

SB 204990 is a prodrug of the potent ATP citrate-lyase inhibitor SB-201076.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

SB 204990(154566-12-8)MS
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