Boc-Ala-OSu - ≥98% , CAS No.3392-05-0

CAS: 3392-05-0 Cat. No.: B113233 Formula: C₁₂H₁₈N₂O₆ Molecular Weight: 286.28 Beilstein Registry Number: 3560476 EC Number: 222-229-7

GRADE & PURITY ≥98%

Synonyms

N-(tert-Butyloxycarbonyl)-L-alanine N-hydroxysuccinimide ester | 2,5-DIOXOPYRROLIDIN-1-YL (2S)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}PROPANOATE | AKOS016842877 | AS-48938 | Boc-Ala-OSu | MFCD00065974 | (S)-2,5-Dioxopyrrolidin-1-yl 2-(tert-butoxycarbonylamino)pr

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Product Application:

Reactant involved in synthesis of:

Muramyldipeptide analogs via solid-phase synthesis

Microcin C analogs for use as antibacterials

Lipid I and nucleoside diphosphate peptide derivatives via N-methylimidazolium chloride catalyzed coupling

N-Protected dipeptide acids

Free and peptide-bound glycated amino acids for studies of interactions with human Caco-2 interstinal epithelial cell apical membrane transport proteins

7-Substituted camptothecin conjugates with RGD-peptides as avβ3 integrin ligands

Specifications

Synonyms

N-(tert-Butyloxycarbonyl)-L-alanine N-hydroxysuccinimide ester | 2,5-DIOXOPYRROLIDIN-1-YL (2S)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}PROPANOATE | AKOS016842877 | AS-48938 | Boc-Ala-OSu | MFCD00065974 | (S)-2,5-Dioxopyrrolidin-1-yl 2-(tert-butoxycarbonylamino)pr

Specifications & Purity

≥98%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid

504765885

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765885

Canonical Smiles

CC(C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C

IUPAC Name

(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

InChIKey

COMUWNFVTWKSDT-ZETCQYMHSA-N

INCHI

1S/C12H18N2O6/c1-7(13-11(18)19-12(2,3)4)10(17)20-14-8(15)5-6-9(14)16/h7H,5-6H2,1-4H3,(H,13,18)/t7-/m0/s1

Isomeric SMILES

C[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C

WGK Germany

3

Molecular Weight

286.28

Beilstein

3560476

Reaxy-Rn

1549937

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1549937&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 Alanine and derivatives

• 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: Alanine and derivatives
• Alternative Parents: Pyrrolidine-2-ones Dicarboximides Carbamate esters Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alanine or derivatives - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Carbamic acid ester - Lactam - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• x_melt_point_char: 162-165°C
• Molecular Weight: 286.280 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 286.116 Da
• Monoisotopic Mass: 286.116 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 424.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3392-05-0, the molecular formula is C12H18N2O6, and the molecular weight is 286.28 g/mol. InChIKey COMUWNFVTWKSDT-ZETCQYMHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.