IPT

1-methylethyl 1-thio-beta-D-galactopyranoside


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Chemical Component Summary

Name1-methylethyl 1-thio-beta-D-galactopyranoside
SynonymsISOPROPYL-1-BETA-D-THIOGALACTOSIDE; 1-(ISOPROPYLTHIO)-BETA-GALACTOPYRANSIDE; 1-methylethyl 1-thio-beta-D-galactoside; 1-methylethyl 1-thio-D-galactoside; 1-methylethyl 1-thio-galactoside
Identifiers(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyl-oxane-3,4,5-triol
FormulaC9 H18 O5 S
Molecular Weight238.301
TypeD-SACCHARIDE
Isomeric SMILESCC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChIInChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1
InChIKeyBPHPUYQFMNQIOC-NXRLNHOXSA-N

Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count5
Bond Count33
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB01862 
NameIsopropyl beta-D-thiogalactopyranoside
Groups experimental
DescriptionA non-metabolizable galactose analog that induces expression of the LAC operon.
Synonyms
  • isopropyl β-D-thiogalactoside
  • isopropyl thiogalactoside
  • Isopropyl beta-D-thiogalactopyranoside
  • isopropyl β-D-thiogalactopyranoside
  • isopropyl-β-D-thiogalactoside
Categories
  • Carbohydrates
  • Galactosides
  • Glycosides
  • Sulfur Compounds
  • Thiogalactosides
CAS number367-93-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-galactosidaseMTMITDSLAVVLQRRDWENPGVTQLNRLAAHPPFASWRNSEEARTDRPSQ...unknown
Galactoside O-acetyltransferaseMNMPMTERIRAGKLFTDMCEGLPEKRLRGKTLMYEFNHSHPSEVEKRESL...unknown
Lactose operon repressorMKPVTLYDVAEYAGVSYQTVSRVVNQASHVSAKTREKVEAAMAELNYIPN...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 656894
ChEBI CHEBI:61448
CCDC/CSD FIVTAF