UK-371804 - Moligand™,≥98% , CAS No.256477-09-5

CAS: 256477-09-5 Cat. No.: U650696 Peso molecular: 385.83 PubChem CID: 9952109

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-((4-Chloro-1-guanidinoisoquinoline)-7-sulfonamido)-2-methylpropanoic acid

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

UK-371804 is a urokinase-type plasminogen activator (uPA) inhibitor

UK-371804 is a urokinase-type plasminogen activator ( uPA ) inhibitor with a K i of 10 nM.

In Vitro

UK-371804 is able to inhibit exogenous uPA in human chronic wound fluid (IC 50 =0.89 μM). UK-371804 has its excellent enzyme potency (K i =10 nM) and selectivity profile (4000-fold versus tPA and 2700-fold versus plasmin). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

In a porcine acute excisional wound model, following topical delivery, UK-371804 is able to penetrate into pig wounds and inhibit exogenous uPA activity with no adverse effect on wound healing parameters. Concentrations of UK-371804 in the dermis are 41.8 μM . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Ki: 10 nM (uPA)

Specifications

Sinónimos

2-((4-Chloro-1-guanidinoisoquinoline)-7-sulfonamido)-2-methylpropanoic acid

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

UK-371804 is a urokinase-type plasminogen activator ( uPA ) inhibitor with a K i of 10 nM.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2N=C(N)N)Cl
• IUPAC Name: 2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]-2-methylpropanoic acid
• InChIKey: XSDAXWRCPTYNOD-UHFFFAOYSA-N
• INCHI: 1S/C14H16ClN5O4S/c1-14(2,12(21)22)20-25(23,24)7-3-4-8-9(5-7)11(19-13(16)17)18-6-10(8)15/h3-6,20H,1-2H3,(H,21,22)(H4,16,17,18,19)
• Isómeros SMILES: CC(C)(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2N=C(N)N)Cl
• PubChem CID: 9952109
• Términos de entrada MeSH: 2-(((4-chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid;UK 371,804;UK 371804;UK-371,804;UK-371804;UK371,804;UK371804
• Peso molecular: 385.83

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Alpha amino acids and derivatives Pyridines and derivatives Organosulfonamides Aryl chlorides Benzenoids Aminosulfonyl compounds Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Isoquinoline - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Guanidine - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organosulfur compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• 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

Objetivos asociados (humanos)

PLAU Tchem Urokinase-type plasminogen activator (3 Activities)

Discover Target: PLAU

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

F9 Tchem Coagulation factor IX (922 Activities)

Discover Target: F9

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

F10 Tclin Coagulation factor X (9693 Activities)

Discover Target: F10

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

PLAT Tclin Tissue-type plasminogen activator (1057 Activities)

Discover Target: PLAT

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

PLAU Tchem Urokinase-type plasminogen activator (2016 Activities)

Discover Target: PLAU

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

F7 Tchem Coagulation factor VII (948 Activities)

Discover Target: F7

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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Plasma (328 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 8.33 mg/mL (21.59 mM; Need ultrasonic)
• Sensibilidad: light sensitive
• Peso molecular: 385.800 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 385.061 Da
• Monoisotopic Mass: 385.061 Da
• Topological Polar Surface Area: 169.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 644.000
• 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