16758-34-2, Phenyl 1-thio-b-D-galactopyranoside, CAS: 16758-34-2

16758-34-2, Phenyl 1-thio-b-D-galactopyranoside, CAS: 16758-34-2
C12H16O5S / 272.32
MFCD00063272

苯基硫代-beta-D-半乳糖苷, Phenyl b-D-thiogalactopyranoside

Phenyl b-D-thiogalactopyranoside is a carbohydrate binding agent that has been shown to have anti-cancer properties. It binds to galectin, a carbohydrate receptor on the surface of tumour cells, thereby interfering with cell proliferation and tumor growth. Phenyl b-D-thiogalactopyranoside also blocks the activity of glycolytic enzymes and can be used as an adjuvant in cancer therapy. This molecule is synthesized by nature or chemically by means of alkylation of phenol. The chemical synthesis is more efficient and economical than the natural process.

CAS Number	16758-34-2
Product Name	Phenyl 1-thio-beta-D-galactopyranoside
IUPAC Name	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
Molecular Formula	C12H16O5S
Molecular Weight	272.32 g/mol
InChI	InChI=1S/C12H16O5S/c13-6-8-9(14)10(15)11(16)12(17-8)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12+/m1/s1
InChI Key	OVLYAISOYPJBLU-IIRVCBMXSA-N
SMILES	C1=CC=C(C=C1)SC2C(C(C(C(O2)CO)O)O)O
Synonyms	Phenyl 1-Thio-β-D-galactopyranoside; Ph-thio-β-D-Gal
Canonical SMILES	C1=CC=C(C=C1)SC2C(C(C(C(O2)CO)O)O)O
Isomeric SMILES	C1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O

CAS No: 16758-34-2 MDL No: MFCD00063272 Chemical Formula: C12H16O5S Molecular Weight: 272.32

COA:

Name: Phenyl 1-thio-b-D-galactopyranoside

CAS: 16758-34-2 M.F.: C₁₂H₁₆O₅S M.W.: 272.32

*Items*	*Standards*	*Results*
Appearance	White or slightly yellowish crystalline power	Positive
Solubility	Soluble in water and insoluble in ether	Positive
NMR and MS	Should comply	Complies
Identification	IR and TLC	Positive
M.P.	110℃ ~ 120℃	115℃ -120℃
[a]^D [c=0.88 inCH₃OH].	-44^o ~ -46^o	-44.2^o
Loss Weight On Dryness	Max. 1%	Complies
Alpha-Isomer	Max. 0.5%	0
TLC (15%H₂SO₄-C₂H₅OH)	One spot	Complies
Assay	Min. 98%	98.4%