CAFICRESTAT

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H10F3N5O3S
Molecular Weight	421.353
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC1=NN(CC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C4=C1N=CC=N4

InChI

InChIKey=YRGPAXAVTDMKDK-UHFFFAOYSA-N

InChI=1S/C17H10F3N5O3S/c18-17(19,20)8-1-2-11-9(5-8)23-12(29-11)7-25-16(28)15-14(21-3-4-22-15)10(24-25)6-13(26)27/h1-5H,6-7H2,(H,26,27)

HIDE SMILES / InChI

Molecular Formula	C17H10F3N5O3S
Molecular Weight	421.353
Charge	0
Count

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

Description
Sources: http://www.google.com/patents/US20130225592

Aldose reductase-IN-1 is an inhibitor of aldose reductase

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Aldose reductase 44 Target ID: CHEMBL1900 Sources: http://www.google.com/patents/US20130225592	Inhibitor 8297		28.9 pM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:36:24 GMT 2023` Edited by `admin` on `Sat Dec 16 14:36:24 GMT 2023`
Record UNII	E8I3O45DDU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CAFICRESTAT

Official Name

English

caficrestat [INN]

Common Name

English

AT 001 [WHO-DD]

Common Name

English

7,8-DIHYDRO-8-OXO-7-((5-(TRIFLUOROMETHYL)-2-BENZOTHIAZOLYL)METHYL)PYRAZINO(2,3-D)PYRIDAZINE-5-ACETIC ACID

Systematic Name

English

AT001

Code

English

(8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)acetic acid

Systematic Name

English

ALDOSE REDUCTASE-IN-1

Common Name

English

Pyrazino[2,3-d]pyridazine-5-acetic acid, 7,8-dihydro-8-oxo-7-[[5-(trifluoromethyl)-2-benzothiazolyl]methyl]-

Systematic Name

English

2-(8-OXO-7-((5-(TRIFLUOROMETHYL)BENZO(D)THIAZOL-2-YL)METHYL)-7,8-DIHYDROPYRAZINO(2,3-D)PYRIDAZIN-5-YL) ACETIC ACID

Systematic Name

English

CAFICRESTAT [USAN]

Common Name

English

AT-001

Code

English

Code System Code Type Description

CAS

1355612-71-3