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

CAS: 97885-44-4 Cat. No.: B331436 Molecular Weight: 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

Overview

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

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

Specifications & Purity

≥98%

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.

Purity

≥98%

Product Properties

• pKa: pKa: 11.21 (Predicted)

Names and Identifiers

• Pubchem Sid: 488196628
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196628
• Canonical Smiles: 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
• Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)OC(C)(C)C
• Molecular Weight: 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
    • Class 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
• 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: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

Hdac5 Histone deacetylase 5 (5 Activities)

Discover Target: Hdac5

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: n20D1.53 (Predicted)
• Boil Point(°C): ~694.7° C at 760 mmHg (Predicted)
• Melt Point(°C): 291.42° C (Predicted)
• Molecular Weight: 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