N-Boc-L-phenylalaninal - ≥97% , CAS No.72155-45-4

CAS: 72155-45-4 Cat. No.: B102427 Peso molecular: 249.31 Número EC: 675-936-1

GRADE & PURITY ≥97%

Synonyms

Boc-Fmk(3S)-OH | 2(S)-(tert-Butoxycarbonylamino)-3-phenylpropionaldehyde | BDBM50137818 | N-Boc-phenylalaninal | AKOS015841411 | Boc-L-Phe-PAM resin (100-200 mesh) | DIOSPHENOL [MI] | Boc-L-phenylalanine Merrifield resin Grain size 100-200 mesh, Substitut

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Intermediate for the synthesis of hydroxyethylene dipeptide isosteres that have enzyme inhibition properties

Specifications

Sinónimos

Boc-Fmk(3S)-OH | 2(S)-(tert-Butoxycarbonylamino)-3-phenylpropionaldehyde | BDBM50137818 | N-Boc-phenylalaninal | AKOS015841411 | Boc-L-Phe-PAM resin (100-200 mesh) | DIOSPHENOL [MI] | Boc-L-phenylalanine Merrifield resin Grain size 100-200 mesh, Substitut

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504764466
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764466
• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C=O
• IUPAC Name: tert-butyl N-[(2S)-1-oxo-3-phenylpropan-2-yl]carbamate
• InChIKey: ZJTYRNPLVNMVPQ-LBPRGKRZSA-N
• INCHI: 1S/C14H19NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t12-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C=O
• WGK Alemania: 3
• Peso molecular: 249.31
• Reaxy-Rn: 2116718
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2116718&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Carbamate esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Amphetamine or derivatives - Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• 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

Objetivos asociados (humanos)

CTSK Tchem Cathepsin K (1 Activities)

Discover Target: CTSK

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 86-88°C
• Peso molecular: 249.300 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 249.136 Da
• Monoisotopic Mass: 249.136 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 277.000
• 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