(2R,3S,4S,5R,6S)-2-(HYDROXYMETHYL)-6-((5-ISOPROPYL-4-(2-METHYL-4-(3-(NEOPENTYLAMINO)PROPOXY)BENZYL)-1H-PYRAZOL-3-YL)OXY)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL HEMISEBACATE

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C28H45N3O7.C10H18O4
Molecular Weight	1273.5931
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2R,3S,4S,5R,6S)-2-(HYDROXYMETHYL)-6-((5-ISOPROPYL-4-(2-METHYL-4-(3-(NEOPENTYLAMINO)PROPOXY)BENZYL)-1H-PYRAZOL-3-YL)OXY)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL HEMISEBACATE

Structure Search

SMILES

OC(=O)CCCCCCCCC(O)=O.CC(C)C1=C(CC2=CC=C(OCCCNCC(C)(C)C)C=C2C)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=NN1.CC(C)C4=C(CC5=CC=C(OCCCNCC(C)(C)C)C=C5C)C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=NN4

InChI

InChIKey=CSBVKUZBZNEFOB-TVESCGIASA-N

InChI=1S/2C28H45N3O7.C10H18O4/c2*1-16(2)22-20(26(31-30-22)38-27-25(35)24(34)23(33)21(14-32)37-27)13-18-8-9-19(12-17(18)3)36-11-7-10-29-15-28(4,5)6;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h2*8-9,12,16,21,23-25,27,29,32-35H,7,10-11,13-15H2,1-6H3,(H,30,31);1-8H2,(H,11,12)(H,13,14)/t2*21-,23-,24+,25-,27+;/m11./s1

HIDE SMILES / InChI

Molecular Formula	C28H45N3O7
Molecular Weight	535.6728
Charge	0
Count

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

Molecular Formula	C10H18O4
Molecular Weight	202.2475
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26998950 | https://clinicaltrials.gov/ct2/show/NCT00976261 | https://www.medkoo.com/products/7455

GSK-1614235 (mizagliflozin) is a sodium glucose co-transporter type 1 (SGLT1) inhibitor that has been investigated for treatment in type 2 diabetes. It is thought to suppress glucose absorption from the intestine in a way that is different from conventional type 2 diabetes drugs, thereby improving postprandial hyperglycemia. Phase 1 studies have been completed.

Originator

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:38:23 GMT 2023` Edited by `admin` on `Fri Dec 15 19:38:23 GMT 2023`
Record UNII	2N0WP693VN
Record Status	`Validated (UNII)`
Record Version

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Type

Language

(2R,3S,4S,5R,6S)-2-(HYDROXYMETHYL)-6-((5-ISOPROPYL-4-(2-METHYL-4-(3-(NEOPENTYLAMINO)PROPOXY)BENZYL)-1H-PYRAZOL-3-YL)OXY)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL HEMISEBACATE

Common Name

English

Code System Code Type Description

PUBCHEM

76959210

Created by admin on Fri Dec 15 19:38:23 GMT 2023 , Edited by admin on Fri Dec 15 19:38:23 GMT 2023

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FDA UNII

2N0WP693VN

Created by admin on Fri Dec 15 19:38:23 GMT 2023 , Edited by admin on Fri Dec 15 19:38:23 GMT 2023

PRIMARY

Related Record Type Details


					0T6DZ14EWQ

(2R,3S,4S,5R,6S)-2-(HYDROXYMETHYL)-6-((5-ISOPROPYL-4-(2-METHYL-4-(3-(NEOPENTYLAMINO)PROPOXY)BENZYL)-1H-PYRAZOL-3-YL)OXY)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL

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