103404-75-7 , D-Luciferin Firefly, sodium salt monohydrate

103404-75-7 , D-Luciferin Firefly, sodium salt monohydrate,
(S)-4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid sodium salt
C11H9N2NaO4S2 / 320.32
MFCD00044938

D-Luciferin Firefly, sodium salt monohydrate

(S)-4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid sodium salt

D-Luciferin is a substrate for bioluminescence. It is used in the diagnosis of diseases and to test for the presence of certain enzymes in cells and tissues. D-Luciferin is an analogue of coelenterazine, which has a similar structure to luciferin, but without the sugar moiety. D-Luciferin is an organic compound that can be synthesized from sodium salts and D-glucose. The reaction proceeds by the following mechanism: 4Na+ + D-Glucose → 4Na+ + 2D-Gluconic acid → 4Na+ + 2D-Lactonic acid → 4Na+ + 3D-Lactaldehyde → 4Na+ + 3D-Lactic acid → 3D-Lactone → 3D-luciferin The final product, 3D-luciferin, can be purified by crystallization or distillation.

CAS Number	103404-75-7
Product Name	Sodium (S)-2-(6-hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate
IUPAC Name	sodium;(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
Molecular Formula	C11H7N2NaO3S2
Molecular Weight	302.3 g/mol
InChI	InChI=1S/C11H8N2O3S2.Na/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16;/h1-3,7,14H,4H2,(H,15,16);/q;+1/p-1/t7-;/m1./s1
InChI Key	BZNVUYVALNTPBG-WJCSTRGMSA-M
SMILES	C1C(N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)[O-].[Na+]
Solubility	Soluble in DMSO
Synonyms	D-Luciferin Sodium
Canonical SMILES	C1C(N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)[O-].[Na+]
Isomeric SMILES	C1[C@@H](N/C(=C\2/N=C3C=CC(=O)C=C3S2)/S1)C(=O)[O-].[Na+]