Boc-D-FMK - ≥90% , CAS No.187389-53-3

CAS: 187389-53-3 Cat. No.: B275097 Fórmula: C₁₁H₁₈FNO₅ Peso molecular: 263.26 Número EC: 102-163-4

GRADE & PURITY ≥90%

Synonyms

AKOS040757103 | Pentanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-fluoro-4-oxo-, methyl ester | AC-36499 | E98725 | HY-103348 | N-BOC-D-FMK | Boc-Asp(OMe)-fluoromethyl ketone, >=90% (TLC), solid | Methyl (S)-3-((tert-butoxycarbonyl)amino)-5-fluoro

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

AKOS040757103 | Pentanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-fluoro-4-oxo-, methyl ester | AC-36499 | E98725 | HY-103348 | N-BOC-D-FMK | Boc-Asp(OMe)-fluoromethyl ketone, >=90% (TLC), solid | Methyl (S)-3-((tert-butoxycarbonyl)amino)-5-fluoro

Especificaciones y pureza

≥90%

Mecanismos bioquímicos y fisiológicos

Irreversible general caspase inhibitor. Blocks hepatocyte apoptosis in vivo . Active in vitro and in vivo . Cell-permeable.

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Desiccated

Enviado en

Ice chest + Ice pads

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

Tipo de acción

INHIBITOR

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥90%

Nombres e identificadores

Pubchem Sid

528763596

Sonrisas canónicas

CC(C)(C)OC(=O)NC(CC(=O)OC)C(=O)CF

IUPAC Name

methyl (3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate

InChIKey

MXOOUCRHWJYCAL-ZETCQYMHSA-N

INCHI

1S/C11H18FNO5/c1-11(2,3)18-10(16)13-7(8(14)6-12)5-9(15)17-4/h7H,5-6H2,1-4H3,(H,13,16)/t7-/m0/s1

Isómeros SMILES

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

Peso molecular

263.26

Reaxy-Rn

32252135

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32252135&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Keto acids and derivatives
      • Subclass Gamma-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Keto acids and derivatives
• Subclass: Gamma-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma-keto acids and derivatives
• Alternative Parents: Fatty acid methyl esters Methyl esters Carbamate esters Alpha-haloketones Monocarboxylic acids and derivatives Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Gamma-keto acid - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Alpha-haloketone - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 20 mM
• Peso molecular: 263.260 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 263.117 Da
• Monoisotopic Mass: 263.117 Da
• Topological Polar Surface Area: 81.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 324.000
• 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