General
Preferred name
(2R,3R)-Butane-2,3-diol
Synonyms
(2R,3R)-(-)-2,3-Butanediol ()
P&D ID
PD144373
CAS
24347-58-8
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION (2R,3R)-Butane-2,3-diol is a non-covalent, reversible agonist targeting lanthanum (La3+)-sensitive calcium channels in bacteria (e.g., Escherichia coli) with an EC50 of approximately 25 mM. (2R,3R)-Butane-2,3-diol binds to calcium channel proteins or related complexes, induces channel opening, promotes extracellular calcium influx, and triggers intracellular calcium transients, which may regulate bacterial physiological activities such as growth, metabolism, and signal transduction. (2R,3R)-Butane-2,3-diol mediates bacterial-host cell signaling interactions and affects the metabolic balance of intestinal microorganisms, and can be used to study lactose intolerance and other related diseases[1].
PRICE 29
DESCRIPTION (2R,3R)-Butane-2,3-diol (levo-2,3-Butanediol) is a constitutional isomer of butanediol found in cocoa and cocoa products, as well as isolated from cocoa butter and the roots of Ruta graveolens (rue). This stereoisomer is produced by various microorganisms through butanediol fermentation.
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-W015954
Selleckchem Bioactive Compound Library
2r-3r-2-3-butanediol
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
90.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.25
TPSA
40.46
Fraction CSP3
1.0
Chiral centers
2.0
Largest ring
0.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Bacterial
Calcium Channel
Endogenous Metabolite
Pathway
Anti-infection
Membrane Transporter/Ion Channel
Metabolic Enzyme/Protease
Neuronal Signaling
Source data