Boc-L-alaninal - ≥98% , CAS No.79069-50-4

CAS: 79069-50-4 Cat. No.: B139275 Fórmula: C₈H₁₅NO₃ Peso molecular: 173.21 Número CE: 848-555-5

GRADE & PURITY ≥98%

Synonyms

AI3-62351 | Boc-L-alanine Merrifield resin Mesh Size 100-200 Substitution 0.8 meq/g 1% DVB | tert-butyl (1S)-1-methyl-2-oxoethylcarbamate | N-tert-Butoxycarbonyl-L-alaninal | (S)-t-butyl 1-oxopropan-2-yl carbamate | Boc-L-alanine aldehyde | EN300-156991 |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AI3-62351 | Boc-L-alanine Merrifield resin Mesh Size 100-200 Substitution 0.8 meq/g 1% DVB | tert-butyl (1S)-1-methyl-2-oxoethylcarbamate | N-tert-Butoxycarbonyl-L-alaninal | (S)-t-butyl 1-oxopropan-2-yl carbamate | Boc-L-alanine aldehyde | EN300-156991 |

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504764540
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764540
• Sorrisos canónicos: CC(C=O)NC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl N-[(2S)-1-oxopropan-2-yl]carbamate
• InChIKey: OEQRZPWMXXJEKU-LURJTMIESA-N
• INCHI: 1S/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,11)/t6-/m0/s1
• SMILES isoméricas: C[C@@H](C=O)NC(=O)OC(C)(C)C
• WGK Alemanha: 3
• Peso molecular: 173.21
• Reaxy-Rn: 3539121
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3539121&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 Carbamic acids and derivatives
            • Level7 Carbamate esters

• 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 - Carbamic acids and derivatives
• Direct Parent: Carbamate esters
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aldehyde - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic 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)

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 ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Sensibilidade: air sensitive；Moisture sensitive
• Rotação específica [α]: -33° (C=1,MeOH)
• Ponto de fusão (°C): 89 °C
• Peso molecular: 173.210 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 173.105 Da
• Monoisotopic Mass: 173.105 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 172.000
• 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