Fmoc-Arg(Pbf)-OH - ≥98% , CAS No.154445-77-9

CAS: 154445-77-9 Cat. No.: F110975 Molecular Weight: 648.77 Beilstein Registry Number: 8302670 EC Number: 604-954-4

GRADE & PURITY ≥98%

Synonyms

Fmoc-Arg(Pbf)-OH, >=98.0% (HPLC) | Nalpha-[(9H-Fluoren-9-ylmethoxy)carbonyl]-Nomega-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginine | (r)-(-)-2-pyrrolidine methanol | N-alpha-Fmoc-N'-2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl-L-argin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Fmoc-Arg(Pbf)-OH is a Fmoc-protected amino acid derivative that can be used to create arginine-containing peptides. The 2,2,4,6,7-pentamethyIdlhydrobenzofuran-5-sulfonyl group (Pbf) can be easily cleaved by trifluoroacetic acid (TFA).

Specifications

Synonyms

Fmoc-Arg(Pbf)-OH, >=98.0% (HPLC) | Nalpha-[(9H-Fluoren-9-ylmethoxy)carbonyl]-Nomega-(2, 2, 4, 6, 7-pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginine | (r)-(-)-2-pyrrolidine methanol | N-alpha-Fmoc-N'-2, 2, 4, 6, 7-pentamethyldihydrobenzofuran-5-sulfonyl-L-argin

Specifications & Purity

≥98%

Storage

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: 504766327
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766327
• Canonical Smiles: CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCCC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C
• IUPAC Name: (2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
• InChIKey: HNICLNKVURBTKV-NDEPHWFRSA-N
• INCHI: 1S/C34H40N4O7S/c1-19-20(2)30(21(3)26-17-34(4,5)45-29(19)26)46(42,43)38-32(35)36-16-10-15-28(31(39)40)37-33(41)44-18-27-24-13-8-6-11-22(24)23-12-7-9-14-25(23)27/h6-9,11-14,27-28H,10,15-18H2,1-5H3,(H,37,41)(H,39,40)(H3,35,36,38)/t28-/m0/s1
• Isomeric SMILES: CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C
• WGK Germany: 1
• Molecular Weight: 648.77
• Beilstein: 8302670
• Reaxy-Rn: 39422149
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39422149&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Alpha amino acids and derivatives Coumarans Alkyl aryl ethers Organosulfonic acids and derivatives Aminosulfonyl compounds Carbamate esters Guanidines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Coumaran - Alkyl aryl ether - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Aminosulfonyl compound - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

• Solubility: Soluble in dimethylformamide
• Sensitivity: heat sensitive
• Specific Rotation[α]: -4.5 to -6.5 deg(C=1、DMF)
• Melt Point(°C): 132°C
• Molecular Weight: 648.800 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 648.262 Da
• Monoisotopic Mass: 648.262 Da
• Topological Polar Surface Area: 178.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 1210.000
• 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

References

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