Patamostat - ≥99% , CAS No.114568-26-2

CAS: 114568-26-2 Cat. No.: P649175 Fórmula: C₂₀H₂₀N₄O₄S Peso molecular: 412.46 PubChem CID: 65921

GRADE & PURITY ≥99%

Synonyms

Patamostat [INN] | Q27255575 | p-((2-Succinimidoethyl)thio)phenyl p-guanidinobenzoate | UNII-2T7W4EA51W | Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-((2-(2,5-dioxo-1-pyrrolidinyl)ethyl)thio)phenyl ester | SCHEMBL2109248 | DTXSID90150785 | 2T7W4EA51W |

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Visão geral

Patamostat (E-3123) is a potent protease inhibitor. Patamostat potently inhibits trypsin, plasmin and thrombin with IC 50 s of 39 nM, 950 nM and 1.9 μM, respectively. Patamostat may possess suppressing effects on pathogenesis and development of acute pancreatitis

In Vivo

Patamostat (intravenous infusion) at 0.03-0.3 mg/kg in rats or at 0.3-3.0 mg/kg in rabbits reduces mortality after the induction of pancreatitis in a dose-dependent manner . Patamostat (1.0-3.0 mg/kg; intravenous infusion) reduces the increases of serum trypsin and lipase activities in dogs with pancreatitis . Patamostat (2 mg/kg per h; continuous infusion) improves almost all parameters, including mortality rate, serum and ascitic fluid amylase levels, plasma endotoxin and serum FDP levels, and distribution of lysosomal enzyme in male Wistar rats. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Wistar rats weighing about 350 gDosage: 2 mg/kg Administration: Continuous infusion per h for 1 h Result: Significantly improved the survival rate.

Form:Solid

IC50& Target:IC50: 39 nM (trypsin), 950 nM (plasmin) and 1.9 μM (thrombin)

Specifications

Sinónimos

Patamostat [INN] | Q27255575 | p-((2-Succinimidoethyl)thio)phenyl p-guanidinobenzoate | UNII-2T7W4EA51W | Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-((2-(2,5-dioxo-1-pyrrolidinyl)ethyl)thio)phenyl ester | SCHEMBL2109248 | DTXSID90150785 | 2T7W4EA51W |

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Patamostat (E-3123) is a potent protease inhibitor. Patamostat potently inhibits trypsin, plasmin and thrombin with IC 50 s of 39 nM, 950 nM and 1.9 μM, respectively. Patamostat may possess suppressing effects on pathogenesis and development of acute panc

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Desiccated

Enviado em

Wet ice

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

Tipo de ação

INHIBITOR

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: C1CC(=O)N(C1=O)CCSC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N
• IUPAC Name: [4-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfanyl]phenyl] 4-(diaminomethylideneamino)benzoate
• InChIKey: ILRQPCQIFIURTG-UHFFFAOYSA-N
• INCHI: 1S/C20H20N4O4S/c21-20(22)23-14-3-1-13(2-4-14)19(27)28-15-5-7-16(8-6-15)29-12-11-24-17(25)9-10-18(24)26/h1-8H,9-12H2,(H4,21,22,23)
• SMILES isoméricas: C1CC(=O)N(C1=O)CCSC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N
• CAS alternativo: 114568-26-2
• PubChem CID: 65921
• Termos de entrada MeSH: 4-(2-succinimidoethylthio)phenyl 4-guanidinobenzoate;E 3123;E-3123;E3123
• Peso molecular: 412.46

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 Benzoic acid esters Phenol esters Thiophenol ethers Phenoxy compounds Benzoyl derivatives Alkylarylthioethers Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Dicarboximides Carboxylic acid esters Guanidines Lactams Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Depside backbone - Guanidinobenzoic acid or derivatives - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Lactam - Guanidine - Carboxylic acid ester - Thioether - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (242.45 mM; Need ultrasonic)
• Peso molecular: 412.500 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 412.121 Da
• Monoisotopic Mass: 412.121 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 620.000
• 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: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. 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 114568-26-2, the molecular formula is C20H20N4O4S, and the molecular weight is 412.46 g/mol. InChIKey ILRQPCQIFIURTG-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.