Fmoc-Arg(Me,Pbf)-OH - ≥98% , CAS No.1135616-49-7

CAS: 1135616-49-7 Cat. No.: F478602 Molecular Weight: 662.8 PubChem CID: 71463661

GRADE & PURITY ≥98%

Synonyms

DTXSID10855649 | (S,E)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-(((methylamino)(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-sulfonamido)methylene)amino)pentanoic acid | N~2~-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-N~5~-[N'-methyl-N-(2,2,4,6,7-pentam

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Description

A derivative for the introduction of mono-methyl-arginine during Fmoc SPPS. Coupling can be carried out using any standard activation method. Removal of the Pbf protecting group occurs during the course of the TFA-mediated cleavage reaction. Ref [1] contains methods and protocols for the synthesis of arrays of histone-related peptides containing methylated arginine and lysine-residues.The product number for this product was previously 04-12-1261..

Specifications

Synonyms

DTXSID10855649 | (S, E)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-(((methylamino)(2, 2, 4, 6, 7-pentamethyl-2, 3-dihydrobenzofuran-5-sulfonamido)methylene)amino)pentanoic acid | N~2~-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-N~5~-[N'-methyl-N-(2, 2, 4, 6, 7-pentam

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C

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: 504772124
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772124
• Canonical Smiles: CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NC)NCCCC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C
• IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[N'-methyl-N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoic acid
• InChIKey: JAUPJPAADXVUGQ-LJAQVGFWSA-N
• INCHI: 1S/C35H42N4O7S/c1-20-21(2)31(22(3)27-18-35(4,5)46-30(20)27)47(43,44)39-33(36-6)37-17-11-16-29(32(40)41)38-34(42)45-19-28-25-14-9-7-12-23(25)24-13-8-10-15-26(24)28/h7-10,12-15,28-29H,11,16-19H2,1-6H3,(H,38,42)(H,40,41)(H2,36,37,39)/t29-/m0/s1
• Isomeric SMILES: CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NC)NCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C
• PubChem CID: 71463661
• Molecular Weight: 662.8

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 Arginine 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: Arginine and derivatives
• Alternative Parents: Fluorenes Coumarans Alkyl aryl ethers Aminosulfonyl compounds Organosulfonic acids and derivatives Carbamate esters Guanidines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Imines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Arginine or derivatives - Fluorene - Coumaran - Alkyl aryl ether - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Aminosulfonyl compound - Guanidine - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Imine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as arginine and derivatives. These are compounds containing arginine or a derivative thereof resulting from reaction of arginine 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: light sensitive
• Molecular Weight: 662.800 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 662.277 Da
• Monoisotopic Mass: 662.277 Da
• Topological Polar Surface Area: 164.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 1230.000
• 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