NYC-488 - ≥94% , CAS No.1448429-06-8

CAS: 1448429-06-8 Cat. No.: N276203 分子式: C₁₉H₁₇FN₆O₅S 分子量: 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

概要

Store at -20°C.

Specifications

同義語

(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

仕様と純度

≥94%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

注

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.

純度

≥94%

名前と識別子

• カノニカル・スマイル: 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
• 異性体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
• 分子量: 460.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 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
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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)

関連ターゲット（非人間）

Papain (844 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in DMSO

よくある質問

What is the purity of this product?

This product is supplied at ≥94% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1448429-06-8, the molecular formula is C19H17FN6O5S, and the molecular weight is 460.4 g/mol. InChIKey IPWMYOJQVHCYRC-JYJNAYRXSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.