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AT-001 - 99%, high purity , Aldose reductase inhibitor, CAS No.1355612-71-3, Aldose reductase inhibitor

COA

Grade & Purity:

≥99%

Cas Number: 1355612-71-3
Molecular Weight: 421.35
PubChem CID: 56639723

In stock

Item Number

A412602

Grouped product items
SKU	Size	Availability	Price
A412602-1mg	1mg	2	$69.90
A412602-5mg	5mg	2	$129.90
A412602-10mg	10mg	2	$209.90
A412602-25mg	25mg	1	$429.90
A412602-50mg	50mg	1	$639.90

View related series

Aldose Reductase (31) Glucose Metabolism (1943) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms	Caficrestat \| 2-(8-Oxo-7-((5-(trifluoromethyl)benzo[d]thiazol-2-yl)methyl)-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)acetic acid \| AT 001 [WHO-DD] \| CAFICRESTAT [INN] \| EX-A4257 \| Pyrazino[2,3-d]pyridazine-5-acetic acid, 7,8-dihydro-8-oxo-7-[[5-(trifluorom
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	AT-001 (Aldose reductase-IN-1) is an aldose reductase inhibitor with IC50 of 28.9 pM.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Action Type	INHIBITOR
Mechanism of action	Aldose reductase inhibitor
Product Description	Information AT-001 (Aldose reductase-IN-1) is an aldose reductase inhibitor with IC50 of 28.9 pM.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzothiazoles
Alternative Parents	Pyridazinones Pyrazines Benzenoids Thiazoles Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Pyridazinone - Pyrazine - Pyridazine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactam - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organofluoride - Organohalogen compound - Organic oxide - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-[5-oxo-6-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyrazino[2,3-d]pyridazin-8-yl]acetic acid
INCHI	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)
InChIKey	YRGPAXAVTDMKDK-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CN3C(=O)C4=NC=CN=C4C(=N3)CC(=O)O
Isomeric SMILES	C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CN3C(=O)C4=NC=CN=C4C(=N3)CC(=O)O
Molecular Weight	421.35
Reaxy-Rn	22214568
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22214568&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
C2414150	Certificate of Analysis	Feb 02, 2024	A412602
C2414151	Certificate of Analysis	Feb 02, 2024	A412602
C2414154	Certificate of Analysis	Feb 02, 2024	A412602
C2414155	Certificate of Analysis	Feb 02, 2024	A412602
C2414156	Certificate of Analysis	Feb 02, 2024	A412602
C2414180	Certificate of Analysis	Feb 02, 2024	A412602
C2414181	Certificate of Analysis	Feb 02, 2024	A412602
C2414182	Certificate of Analysis	Feb 02, 2024	A412602
C2414152	Certificate of Analysis	Feb 02, 2024	A412602
C2414153	Certificate of Analysis	Feb 02, 2024	A412602

Chemical and Physical Properties

Molecular Weight	421.400 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Exact Mass	421.046 Da
Monoisotopic Mass	421.046 Da
Topological Polar Surface Area	137.000 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	706.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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