ALLN - ≥95% , CAS No.110044-82-1

CAS: 110044-82-1 Cat. No.: A274819 Fórmula: C₂₀H₃₇N₃O₄ Peso molecular: 383.54 Número CE: 805-362-0

GRADE & PURITY ≥95%

Synonyms

Calpain inhibitor I;Ac-LLnL-CHO;ALLN | DTXSID70911457 | KBioGR_000279 | MG 101 | 2-[(1-Hydroxyethylidene)amino]-N-{1-hydroxy-4-methyl-1-[(1-oxohexan-2-yl)imino]pentan-2-yl}-4-methylpentanimidic acid | Calpain Inhibitor I, >=97% (TLC), powder | Bio2_000279

Storage

Armazenar a -20°C,Dessecado

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

Descrição do produto:

Armazenar a -20°C. Armazenar em condições de dessecação. O produto pode ser armazenado por até 12 meses.

Aplicação do Produto：
O inibidor de calpaína I foi usado: como um componente do coquetel de inibidores de protease para análise de deslocamento de gel para o tratamento de culturas de células HeLa para inibição do proteassoma 26 S em ensaios de inibição do proteassoma 26 S

Specifications

Sinónimos

Calpain inhibitor I;Ac-LLnL-CHO;ALLN | DTXSID70911457 | KBioGR_000279 | MG 101 | 2-[(1-Hydroxyethylidene)amino]-N-{1-hydroxy-4-methyl-1-[(1-oxohexan-2-yl)imino]pentan-2-yl}-4-methylpentanimidic acid | Calpain Inhibitor I, >=97% (TLC), powder | Bio2_000279

Especificações e pureza

≥95%

Mecanismos bioquímicos e fisiológicos

Inibidor potente da cisteína proteinase permeável às células (os valores de K i são 190 (calpaína I), 220 (calpaína II), 150 (catepsina B) nM e 500 pM (catepsina L). Promove a apoptose dependente de Bax nas células cancerosas. Agente antitumoral. O inibid

Condições de armazenamento de armazenamento

Armazenar a -20°C,Dessecado

Enviado em

Arca de gelo + almofadas de gelo

Nota

Sempre que possível, deve preparar e utilizar as soluções no mesmo dia. No entanto, se precisar de preparar soluções de reserva com antecedência, recomendamos que guarde a solução como alíquotas em frascos hermeticamente fechados a -20°C. Em geral, estas podem ser utilizadas durante uma semana. Antes de utilizar, e antes de abrir o frasco para injectáveis, recomendamos que deixe o seu produto equilibrar à temperatura ambiente durante pelo menos 1 hora. Precisa de mais conselhos sobre solubilidade, utilização e manuseamento? Para mais informações, visite a nossa página de perguntas frequentes (FAQ).

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504758792

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758792

Sorrisos canónicos

CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C

IUPAC Name

(2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]pentan-2-yl]pentanamide

InChIKey

FMYKJLXRRQTBOR-BZSNNMDCSA-N

INCHI

1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1

SMILES isoméricas

CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C

Peso molecular

383.54

Reaxy-Rn

10703469

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10703469&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Leucine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides N-acyl amines Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Fatty amide - Fatty acyl - N-acyl-amine - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Aldehyde - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: tripeptide - aldehyde

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

Alvos associados (humanos)

CTSB Tchem Cathepsin B (3822 Activities)

Discover Target: CTSB

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PC-3 (62116 Activities)

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HeLa (62764 Activities)

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USP5 Tchem Ubiquitin carboxyl-terminal hydrolase 5 (172 Activities)

Discover Target: USP5

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

CFL1 Tbio Cofilin-1 (12 Activities)

Discover Target: CFL1

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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Alvos associados (não humanos)

Cruzipain (33337 Activities)

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Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

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

CAPN1 Calpain 1 (219 Activities)

Discover Target: CAPN1

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Plasmodium falciparum (966862 Activities)

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B16 (5829 Activities)

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L1210 (27553 Activities)

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H4 (48 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO to 50 mM and in ethanol
• Peso molecular: 383.500 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 383.278 Da
• Monoisotopic Mass: 383.278 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 492.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 110044-82-1, the molecular formula is C20H37N3O4, and the molecular weight is 383.54 g/mol. InChIKey FMYKJLXRRQTBOR-BZSNNMDCSA-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.