Acetalin-1 , CAS No.152274-67-4

CAS: 152274-67-4 Cat. No.: A1431679 Molecular Weight: 939.2 PubChem CID: 25226032

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Acetalin-1 (Ac-RFMWMK-NH2), a hexapeptide, is a μ opioid receptor antagonist with high affinity for μ and κ3 opioid receptor , weak affinity for κ1 receptors and no affinity for κ2 receptors.

Specifications

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.

Action Type

ANTAGONIST

Names and Identifiers

• Canonical Smiles: CC(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)N
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-6-aminohexanamide
• InChIKey: DJTZXNBYHIQLGI-DUGSHLAESA-N
• INCHI: 1S/C44H66N12O7S2/c1-27(57)51-33(17-11-21-49-44(47)48)39(59)55-36(24-28-12-5-4-6-13-28)42(62)53-35(19-23-65-3)41(61)56-37(25-29-26-50-31-15-8-7-14-30(29)31)43(63)54-34(18-22-64-2)40(60)52-32(38(46)58)16-9-10-20-45/h4-8,12-15,26,32-37,50H,9-11,16-25,45H2,1-3H3,(H2,46,58)(H,51,57)(H,52,60)(H,53,62)(H,54,63)(H,55,59)(H,56,61)(H4,47,48,49)/t32-,33-,34-,35-,36-,37-/m0/s1
• Isomeric SMILES: CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N
• PubChem CID: 25226032
• Molecular Weight: 939.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Phenylalanine and derivatives Methionine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Tryptamines and derivatives Amphetamines and derivatives 3-alkylindoles Substituted pyrroles N-acyl amines Heteroaromatic compounds Acetamides Primary carboxylic acid amides Guanidines Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylthioethers Carboximidamides Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - Phenylalanine or derivatives - Methionine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Triptan - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 3-alkylindole - Indole or derivatives - Indole - Substituted pyrrole - Monocyclic benzene moiety - Benzenoid - Fatty amide - Fatty acyl - N-acyl-amine - Heteroaromatic compound - Acetamide - Pyrrole - Amino acid or derivatives - Carboxamide group - Guanidine - Primary carboxylic acid amide - Secondary carboxylic acid amide - Thioether - Carboximidamide - Azacycle - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Primary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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