2-Furoyl-LIGRLO-amide TFA - ≥95% , CAS No.729589-58-6

CAS: 729589-58-6 Cat. No.: F275556 Molecular Weight: 777.95 (free base basis)

GRADE & PURITY ≥95%

Synonyms

2-Furoyl-LIGRLO-amide | 2-Fly | 2-f-LIGRLO-NH2 | 2-fAP | 2fLI

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

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

Specifications

Synonyms

2-Furoyl-LIGRLO-amide | 2-Fly | 2-f-LIGRLO-NH2 | 2-fAP | 2fLI

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Potent and selective PAR 2 receptor agonist (EC 50 = 340 nM). Induces arterial contraction. Facilitates capsaicin evoked nociception. Around 100 times more potent than SLIGR-NH 2.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Note

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 week. 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.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCC(C)C(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCN)C(=O)N)NC(=O)C(CC(C)C)NC(=O)C1=CC=CO1
• IUPAC Name: N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide
• InChIKey: OSKIRYSKGDEIOG-WTWMNNMUSA-N
• INCHI: 1S/C36H63N11O8/c1-7-22(6)29(47-33(52)26(18-21(4)5)46-34(53)27-13-10-16-55-27)35(54)42-19-28(48)43-24(12-9-15-41-36(39)40)31(50)45-25(17-20(2)3)32(51)44-23(30(38)49)11-8-14-37/h10,13,16,20-26,29H,7-9,11-12,14-15,17-19,37H2,1-6H3,(H2,38,49)(H,42,54)(H,43,48)(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,39,40,41)/t22-,23-,24-,25-,26-,29-/m0/s1
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)C1=CC=CO1
• Molecular Weight: 777.95 (free base basis)
• Reaxy-Rn: 60405305
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=60405305&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 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: Isoleucine and derivatives Leucine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides 2-heteroaryl carboxamides Furoic acid and derivatives N-acyl amines Heteroaromatic compounds Primary carboxylic acid amides Guanidines Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Carboximidamides Oxacyclic compounds Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-oligopeptide - Leucine or derivatives - Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 2-heteroaryl carboxamide - Furoic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Furan - Heteroaromatic compound - Secondary carboxylic acid amide - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Oxacycle - Primary amine - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Amine - Organic oxide - Organooxygen compound - Aromatic heteromonocyclic 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

Associated Targets(Human)

F2RL1 Tchem Proteinase-activated receptor 2 (2 Activities)

Discover Target: F2RL1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

CHO (4503 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water to 1 mg/ml
• Molecular Weight: 778.000 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 26
• Exact Mass: 777.486 Da
• Monoisotopic Mass: 777.486 Da
• Topological Polar Surface Area: 321.000 Ų
• Heavy Atom Count: 55
• Formal Charge: 0
• Complexity: 1310.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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