T-1095

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H28O11
Molecular Weight	516.4939
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)OC[C@H]1O[C@@H](OC2=CC(C)=CC(O)=C2C(=O)CCC3=CC=C4OC=CC4=C3)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=BXNCIERBDJYIQT-PRDVQWLOSA-N

InChI=1S/C26H28O11/c1-13-9-17(28)21(16(27)5-3-14-4-6-18-15(11-14)7-8-34-18)19(10-13)36-25-24(31)23(30)22(29)20(37-25)12-35-26(32)33-2/h4,6-11,20,22-25,28-31H,3,5,12H2,1-2H3/t20-,22-,23+,24-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H28O11
Molecular Weight	516.4939
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Sodium/glucose cotransporter 1 7 Target ID: CHEMBL4979 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10480610	Inhibitor 8297		22.8 µM [IC50]
Sodium/glucose cotransporter 2 25 Target ID: CHEMBL3884 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10480610	Inhibitor 8297		2.3 µM [IC50]

PubMed

Title	Date	PubMed
Discovery of novel N-β-D-xylosylindole derivatives as sodium-dependent glucose cotransporter 2 (SGLT2) inhibitors for the management of hyperglycemia in diabetes.	2011 Jan 13	21128592

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:07:08 GMT 2023` Edited by `admin` on `Sat Dec 16 11:07:08 GMT 2023`
Record UNII	94E730CSAF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

T-1095

Common Name

English

1-PROPANONE, 3-(5-BENZOFURANYL)-1-(2-HYDROXY-6-((6-O-(METHOXYCARBONYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-4-METHYLPHENYL)-

Systematic Name

English

2-(3-(BENZOFURAN-5-YL)PROPANOYL)-3-HYDROXY-5-METHYLPHENYL 6-O-(METHOXYCARBONYL)-.BETA.-D-GLUCOPYRANOSIDE

Systematic Name

English

J1.265.349B

Code

English

((2R,3S,4S,5R,6S)-6-(2-(3-(BENZOFURAN-5-YL)PROPANOYL)-3-HYDROXY-5-METHYLPHENOXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)METHYL METHYL CARBONATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

6918410

Created by admin on Sat Dec 16 11:07:08 GMT 2023 , Edited by admin on Sat Dec 16 11:07:08 GMT 2023

PRIMARY

FDA UNII

94E730CSAF

Created by admin on Sat Dec 16 11:07:08 GMT 2023 , Edited by admin on Sat Dec 16 11:07:08 GMT 2023

PRIMARY

CAS

209746-59-8

Created by admin on Sat Dec 16 11:07:08 GMT 2023 , Edited by admin on Sat Dec 16 11:07:08 GMT 2023

PRIMARY

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METABOLITE ACTIVE -> PRODRUG