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

CAS: 72155-45-4 Cat. No.: B102427 Formule: C₁₄H₁₉NO₃ Poids moléculaire: 249.31 Numéro CE: 675-936-1

QUALITÉ & PURETÉ ≥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,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504764466

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764466

Sourires canoniques

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

Isomères SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C=O

WGK Allemagne

3

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Cibles associées (humaines)

CTSK Tchem Cathepsin K (1 Activities)

Discover Target: CTSK

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 86-88°C
• Poids moléculaire: 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