TP0438836

CAT: 0013-GTR19211644-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19211644-02Size:50 mg

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Description

TP0438836 is a potent, low-absorbable inhibitor of sodium-dependent glucose cotransporter 1 (SGLT1), with IC50 values of 28 nM (hSGLT1) and 7 nM (hSGLT2) . It is a valuable research tool for investigating SGLT inhibition mechanisms and its potential role in managing type 2 diabetes in both in vitro and in vivo models.

CAS Number

957772-01-9

Field of Research

Pharmacology & Drug Discovery

Smiles

O[C@H]1[C@@H] (O[C@H] (CO) [C@@H] (O) [C@@H]1O) C2=CC (CC3=CC=C (CCNC (NC (CO) (CO) CO) =O) C=C3) =C (C) C=C2O

Molecular Formula

C27H38N2O10

Molecular Weight

550.6

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

1-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-3-(4-(4-hydroxy-2-methyl-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)benzyl)phenethyl)urea

CAS Number	957772-01-9
PubChem CID	23581843
IUPAC Name	1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[2-[4-[[4-hydroxy-2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]ethyl]urea
Molecular Formula	C27H38N2O10
Molecular Weight	550.6
XLogP	-1.4
Topological Polar Surface Area	212
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Heavy Atom Count	39
Formal Charge	0
Complexity	740

SMILES

CC1=CC(=C(C=C1CC2=CC=C(C=C2)CCNC(=O)NC(CO)(CO)CO)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

InChI

InChI=1S/C27H38N2O10/c1-15-8-20(34)19(25-24(37)23(36)22(35)21(11-30)39-25)10-18(15)9-17-4-2-16(3-5-17)6-7-28-26(38)29-27(12-31,13-32)14-33/h2-5,8,10,21-25,30-37H,6-7,9,11-14H2,1H3,(H2,28,29,38)/t21-,22-,23+,24-,25+/m1/s1

InChIKey

CSTNPWDBBVIJSR-RXFVIIJJSA-N

Chemical Structure

2D Structure

CAS: 957772-01-9

CID: 23581843

Formula: C27H38N2O10

MW: 550.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	550.6
XLogP3	-1.4
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Exact Mass	550.25264541
Monoisotopic Mass	550.25264541
Topological Polar Surface Area	212 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	740
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
MBS5810801	TP0438836

TP0438836

Chemical Information

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