LX-2761 - CAS 1610954-97-6

Technical Data

IUPAC Name:	N-[2-(dimethylamino)ethyl]-2-methyl-2-[4-[4-[[2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]phenyl]methyl]phenyl]butanoylamino]propanamide
Description:	LX-2761 is a locally acting SGLT1 inhibitor that can delay intestinal glucose absorption in the body to improve blood sugar control.
Molecular Weight:	601.8
Molecular Formula:	C32H47N3O6S
Canonical SMILES:	CC1=C(C=C(C=C1)C2C(C(C(C(O2)SC)O)O)O)CC3=CC=C(C=C3)CCCC(=O)NC(C)(C)C(=O)NCCN(C)C
InChI:	InChI=1S/C32H47N3O6S/c1-20-10-15-23(29-27(38)26(37)28(39)30(41-29)42-6)19-24(20)18-22-13-11-21(12-14-22)8-7-9-25(36)34-32(2,3)31(40)33-16-17-35(4)5/h10-15,19,26-30,37-39H,7-9,16-18H2,1-6H3,(H,33,40)(H,34,36)/t26-,27-,28+,29+,30-/m1/s1
InChI Key:	BNPZTRDIESRGTC-IXYVTWBDSA-N
Boiling Point:	843.9±65.0 ℃ (Predicted)
Purity:	≥ 98 % by HPLC
Density:	1.24±0.1 g/cm³(Predicted)
Solubility:	Soluble in DMSO
Storage:	Store at -20 ℃
LogP:	3.10600

Publication Number	Title	Priority Date
WO-2020200153-A1	Glucoside derivative that acts as sglt1 inhibitor and application thereof	20190329
WO-2020068661-A1	Crystalline forms of n-(1 -((2-(dimethylamino)ethyl)amino)-2-m ethyl-1 -oopropan-2-yl)-4-(4-(2-methyl-5- (2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2h-pyran-2-yl)benzyl) phenl)butanamide and methods of their synthesis	20180926
US-2020255394-A1	Crystalline solid forms of n-(1-((2-(dimethylamino)ethyl)amino)-2-methyl-1-oxopropan-2-yl)-4-(4-(2-methyl-5-((2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2h-pyran-2-yl)benzyl)phenyl)butanamide and methods of their synthesis	20180926
CA-3113037-A1	Crystalline forms of n-(1-((2-(dimethylamino)ethyl)amino)-2-methyl-1-oopropan-2-yl)-4-(4-(2-methyl-5-(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2h-pyran-2-yl)benzyl)phenl)butanamide and methods of their synthesis	20180926
US-10968192-B2	Crystalline solid forms of N-(1-((2-(dimethylamino)ethyl)amino)-2-methyl-1-oxopropan-2-yl)-4-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)benzyl)phenyl)butanamide and methods of their synthesis	20180926

Complexity:	852
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	5
Defined Bond Stereocenter Count:	0
Exact Mass:	601.3185574
Formal Charge:	0
Heavy Atom Count:	42
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	5
Isotope Atom Count:	0
Monoisotopic Mass:	601.3185574
Rotatable Bond Count:	13
Topological Polar Surface Area:	157
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5