85618-20-8 ,n-Heptyl β-D-thioglucopyranoside, CAS:85618-20-8

85618-20-8 ,n-Heptyl β-D-thioglucopyranoside, CAS:85618-20-8
C13H26O5S / 294.41
MFCD00043236

Heptyl b-D-thioglucopyranoside

n-庚基-β-D-硫代吡喃葡萄糖苷

Heptyl b-D-thioglucopyranoside is a small molecule that is used as a regulator of the phosphatase enzyme (PP1). PP1 is an important enzyme in the regulation of cellular signaling pathways. Heptyl b-D-thioglucopyranoside interacts with the regulatory domain of PP1, which is required for its activity. The ligand binds to an antenna on the regulatory domain and induces conformational changes in the protein, leading to increased phosphatase activity. This small molecule also has two binding sites for ATP and L-phenylalanine, which are required for its regulatory function.

CAS Number	85618-20-8
Product Name	Heptyl 1-thiohexopyranoside
IUPAC Name	(2S,3R,4S,5S,6R)-2-heptylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C13H26O5S
Molecular Weight	294.41 g/mol
InChI	InChI=1S/C13H26O5S/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1
InChI Key	HPEGNLMTTNTJSP-LBELIVKGSA-N
SMILES	CCCCCCCSC1C(C(C(C(O1)CO)O)O)O
Synonyms	Heptyl-β-thioglucoside; n-Heptyl β-D-Thioglucopyranoside; n-Heptyl β-D-Thioglucoside;
Canonical SMILES	CCCCCCCSC1C(C(C(C(O1)CO)O)O)O
Isomeric SMILES	CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O