FOY 251 - ≥98% , CAS No.71079-09-9

CAS: 71079-09-9 Cat. No.: F334972 Fórmula: C₁₇H₁₉N₃O₇S Peso molecular: 409.41

GRADE & PURITY ≥98%

Synonyms

2-(4-((4-Guanidinobenzoyl)oxy)phenyl)acetic acid compound with methanesulfonic acid (1:1) | 4-GBCE (methanesulfonate) | Benzeneacetic acid, 4-((4-((aminoiminomethyl)amino)benzoyl)oxy)-, monomethanesulfonate | FOY-251 mesylate | SCHEMBL1649708 | {4-[(4-Car

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

FOY 251 is a metabolite of Camostat and a pollen protease inhibitor for prevention and control of allergy.

Specifications

Sinónimos

2-(4-((4-Guanidinobenzoyl)oxy)phenyl)acetic acid compound with methanesulfonic acid (1:1) | 4-GBCE (methanesulfonate) | Benzeneacetic acid, 4-((4-((aminoiminomethyl)amino)benzoyl)oxy)-, monomethanesulfonate | FOY-251 mesylate | SCHEMBL1649708 | {4-[(4-Car

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504757001

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757001

Sorrisos canónicos

CS(=O)(=O)O.C1=CC(=CC=C1CC(=O)O)OC(=O)C2=CC=C(C=C2)N=C(N)N

IUPAC Name

2-[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]acetic acid;methanesulfonic acid

InChIKey

JXMOPIDYHUYOED-UHFFFAOYSA-N

INCHI

1S/C16H15N3O4.CH4O3S/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21;1-5(2,3)4/h1-8H,9H2,(H,20,21)(H4,17,18,19);1H3,(H,2,3,4)

SMILES isoméricas

CS(=O)(=O)O.C1=CC(=CC=C1CC(=O)O)OC(=O)C2=CC=C(C=C2)N=C(N)N

CAS alternativo

71079-08-8

Peso molecular

409.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Depsides and depsidones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Depsides and depsidones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Depsides and depsidones
• Alternative Parents: Guanidinobenzoic acids and derivatives Phenol esters Benzoic acid esters Phenoxy compounds Benzoyl derivatives Dicarboxylic acids and derivatives Sulfonyls Alkanesulfonic acids Organosulfonic acids Methanesulfonates Carboxylic acid esters Guanidines Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Depside backbone - Guanidinobenzoic acid or derivatives - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Methanesulfonate - Carboxylic acid ester - Guanidine - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
• 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

Alvos associados (humanos)

PRSS1 Tclin Trypsin-1 (1 Activities)

Discover Target: PRSS1

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

F2 Tclin Thrombin (11687 Activities)

Discover Target: F2

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

PLG Tclin Plasminogen (2339 Activities)

Discover Target: PLG

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

PRSS1 Tclin Trypsin I (2306 Activities)

Discover Target: PRSS1

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

ELANE Tclin Leukocyte elastase (8173 Activities)

Discover Target: ELANE

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

CTSG Tchem Cathepsin G (2304 Activities)

Discover Target: CTSG

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

Alvos associados (não humanos)

Alpha-chymotrypsin (819 Activities)

Explore this target

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

Kallikrein 1 (28 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 194-198° C
• Peso molecular: 409.400 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 409.094 Da
• Monoisotopic Mass: 409.094 Da
• Topological Polar Surface Area: 191.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 539.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

XLogP3

Perguntas frequentes

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. Freezer storage is required to maintain the specified shelf life.

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 71079-09-9, the molecular formula is C17H19N3O7S, and the molecular weight is 409.41 g/mol. InChIKey JXMOPIDYHUYOED-UHFFFAOYSA-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.