Atigliflozin

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Description

Atigliflozin (AVE-2268) is an orally active and selective SGLT-2 inhibitor, with IC50s of 10 nM and 8.2 μM for hSGLT-2 and hSGLT-1) respectively. Atigliflozin can lower the blood glucose and improve the impaired oral glucose tolerance. Atigliflozin can be used for research of type II diabetes mellitus[1].

CAS Number

647834-15-9

Product Name Alternative

AVE-2268

UNSPSC

12352005

Target

SGLT

Type

Reference compound

Related Pathways

Membrane Transporter/Ion Channel

Applications

Metabolism-sugar/lipid metabolism

Field of Research

Metabolic Disease

Assay Protocol

https://www.medchemexpress.com/atigliflozin.html

Solubility

10 mM in DMSO

Smiles

O[C@H]1[C@H](OC2=C(CC3=CC=C(OC)C=C3)SC=C2)O[C@H](CO)[C@@H](O)[C@@H]1O

Molecular Formula

C18H22O7S

Molecular Weight

382.43

References & Citations

[1]Schudok M, et al. The magic of small structure differences in a sodium-glucose cotransporter drug discovery project-14 C-labelled drug candidates in a key-differentiating study. J Labelled Comp Radiopharm. 2021 Feb;64 (2) :73-76.|[2]Bickel M, et al. Effects of AVE2268, a substituted glycopyranoside, on urinary glucose excretion and blood glucose in mice and rats. Arzneimittelforschung. 2008;58 (11) :574-80.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

Phase 2

Isoform

SGLT1; SGLT2

Chemical Information

Atigliflozin

Atigliflozin is a small molecule drug. Atigliflozin is under investigation in clinical trial NCT00361738 (Dose-Ranging Study Evaluating AVE2268 in Patients With Type 2 Diabetes Not Adequately Controlled by a Metformin Treatment). Atigliflozin has a monoisotopic molecular weight of 382.11 Da.

CAS Number	647834-15-9
PubChem CID	10068465
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]thiophen-3-yl]oxyoxane-3,4,5-triol
Molecular Formula	C18H22O7S
Molecular Weight	382.4
XLogP	1.7
Topological Polar Surface Area	137
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	432

SMILES

COC1=CC=C(C=C1)CC2=C(C=CS2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C18H22O7S/c1-23-11-4-2-10(3-5-11)8-14-12(6-7-26-14)24-18-17(22)16(21)15(20)13(9-19)25-18/h2-7,13,15-22H,8-9H2,1H3/t13-,15-,16+,17-,18-/m1/s1

InChIKey

BUXGTLNOWLNUKF-SOVHRIKKSA-N

Chemical Structure

2D Structure

CAS: 647834-15-9

CID: 10068465

Formula: C18H22O7S

MW: 382.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	382.4
XLogP3	1.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	382.10862421
Monoisotopic Mass	382.10862421
Topological Polar Surface Area	137 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	432
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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