NYC-488 - ≥94% , CAS No.1448429-06-8

CAS: 1448429-06-8 Cat. No.: N276203 Molecular Weight: 460.4 PubChem CID: 71660816

GRADE & PURITY ≥94%

Synonyms

(2S,3S)-3-((S)-1-((1-(4-Fluorophenyl)-1H-1,2,3-triazol-4-yl)-methylamino)-1-oxo-3-(thiazol-4-yl)propan-2-ylcarbamoyl)-oxirane-2-carboxylicacid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C.

Specifications

Synonyms

(2S, 3S)-3-((S)-1-((1-(4-Fluorophenyl)-1H-1, 2, 3-triazol-4-yl)-methylamino)-1-oxo-3-(thiazol-4-yl)propan-2-ylcarbamoyl)-oxirane-2-carboxylicacid

Specifications & Purity

≥94%

Biochemical and Physiological Mechanisms

Novel, selective calpain inhibitor. Possible therapeutic agent against\xa0Alzheimer’s disease.

Storage

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥94%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1N2C=C(N=N2)CNC(=O)C(CC3=CSC=N3)NC(=O)C4C(O4)C(=O)O)F
• IUPAC Name: (2S,3S)-3-[[(2S)-1-[[1-(4-fluorophenyl)triazol-4-yl]methylamino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamoyl]oxirane-2-carboxylic acid
• InChIKey: IPWMYOJQVHCYRC-JYJNAYRXSA-N
• INCHI: 1S/C19H17FN6O5S/c20-10-1-3-13(4-2-10)26-7-12(24-25-26)6-21-17(27)14(5-11-8-32-9-22-11)23-18(28)15-16(31-15)19(29)30/h1-4,7-9,14-16H,5-6H2,(H,21,27)(H,23,28)(H,29,30)/t14-,15-,16-/m0/s1
• Isomeric SMILES: C1=CC(=CC=C1N2C=C(N=N2)CNC(=O)[C@H](CC3=CSC=N3)NC(=O)[C@@H]4[C@H](O4)C(=O)O)F
• PubChem CID: 71660816
• Molecular Weight: 460.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Alpha amino acid amides Phenyl-1,2,3-triazoles Fluorobenzenes Oxirane carboxylic acids Aryl fluorides Fatty amides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenyltriazole - Phenyl-1,2,3-triazole - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Oxirane carboxylic acid - Oxirane carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Fatty amide - Fatty acyl - 1,2,3-triazole - Heteroaromatic compound - Azole - Thiazole - Triazole - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• External Descriptors: Not available

Data sources

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

Associated Targets(Human)

CAPN1 Tchem Calpain-1 catalytic subunit (3 Activities)

Discover Target: CAPN1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

Papain (844 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO