Boc-Lys(Tfa)-AMC - ≥98% , CAS No.97885-44-4

CAS: 97885-44-4 Cat. No.: B331436 Fórmula: C₂₃H₂₈F₃N₃O₆ Peso molecular: 499.48

GRADE & PURITY ≥98%

Synonyms

Boc-L-Lys-MCA | MFCD11975034 | F11102 | DTXSID00438081 | Boc-Lys(Tfa)-AMC | BDBM25149 | tert-butyl N-[(1S)-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]-5-(2,2,2-trifluoroacetamido)pentyl]carbamate | UFFVNATYYXBMGO-INIZCTEOSA-N | (S)-tert-Butyl (1-((4-met

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Boc-Lys(Tfa)-AMC is a fluorogenic substrate for the assaying of histone deacetylase (HDAC) 4, 5 and 7 activity in a protease-coupled assay. It is also a suitable substrate for HDAC 8. The deacylated product Boc-Lys-AMC corresponds to I-1880.

Specifications

Sinónimos

Boc-L-Lys-MCA | MFCD11975034 | F11102 | DTXSID00438081 | Boc-Lys(Tfa)-AMC | BDBM25149 | tert-butyl N-[(1S)-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]-5-(2,2,2-trifluoroacetamido)pentyl]carbamate | UFFVNATYYXBMGO-INIZCTEOSA-N | (S)-tert-Butyl (1-((4-met

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

pKa

pKa: 11.21 (Predicted)

Nomes e identificadores

Pubchem Sid

488196628

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196628

Sorrisos canónicos

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCCNC(=O)C(F)(F)F)NC(=O)OC(C)(C)C

IUPAC Name

tert-butyl N-[(2S)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxo-6-[(2,2,2-trifluoroacetyl)amino]hexan-2-yl]carbamate

InChIKey

UFFVNATYYXBMGO-INIZCTEOSA-N

INCHI

1S/C23H28F3N3O6/c1-13-11-18(30)34-17-12-14(8-9-15(13)17)28-19(31)16(29-21(33)35-22(2,3)4)7-5-6-10-27-20(32)23(24,25)26/h8-9,11-12,16H,5-7,10H2,1-4H3,(H,27,32)(H,28,31)(H,29,33)/t16-/m0/s1

SMILES isoméricas

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)OC(C)(C)C

Peso molecular

499.48

Reaxy-Rn

29040881

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29040881&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 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Coumarins and derivatives 1-benzopyrans N-arylamides Pyranones and derivatives Benzenoids Fatty amides Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Coumarin - Benzopyran - 1-benzopyran - N-arylamide - Pyranone - Fatty acyl - Benzenoid - Pyran - Fatty amide - Heteroaromatic compound - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Lactone - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Alvos associados (humanos)

HDAC7 Tclin Histone deacetylase 7 (1047 Activities)

Discover Target: HDAC7

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

Alvos associados (não humanos)

Hdac5 Histone deacetylase 5 (5 Activities)

Discover Target: Hdac5

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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: n20D1.53 (Predicted)
• Ponto de ebulição (°C): ~694.7° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 291.42° C (Predicted)
• Peso molecular: 499.500 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 499.193 Da
• Monoisotopic Mass: 499.193 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 837.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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 ≥98% 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 97885-44-4, the molecular formula is C23H28F3N3O6, and the molecular weight is 499.48 g/mol. InChIKey UFFVNATYYXBMGO-INIZCTEOSA-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.