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Chemical structure of D-Luciferin 6′-methyl ether

GC74925

D-Luciferin 6′-methyl ether

Also known as (4S)-2-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

D-Luciferin 6′-methyl ether (6′-Methoxyluciferin; compound 19a) is a potent luciferase from the North American firefly Photinus pyralis (PpyLuc) inhibitor with an IC50 of 0·1 ?M

ChemicalCAS24404-90-8MW294.35FormulaC12H10N2O3S2
CAS number
24404-90-8
Molecular weight
294.35
Formula
C12H10N2O3S2
Solubility
DMSO： 11·11 mg/mL (37·74 mM; ultrasonic and warming and heat to 60°C)
InChIKey
ZTQKCGHSTKIWFW-MRVPVSSYSA-N
Catalogue number
GC74925
Brand
GLPBIO
Computed properties PubChem CID 688511 · XLogP 2.6 · TPSA 125 Ų · H-bond donors 1
XLogP
2.6
TPSA
125 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
19

SMILES COC1=CC2=C(C=C1)N=C(S2)C3=N[C@H](CS3)C(=O)O

Computed descriptors from PubChem (CID 688511), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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