GRADE & PURITY ≥98%

Synonyms

155558-32-0 (HCl salt) | FD5036 | H1745 | HA 1100 hydrochloride | SR-00000002171 | 5-((1,4-diazepan-1-yl)sulfonyl)isoquinolin-1-ol hydrochloride | AKOS024457085 | Hydroxy Fasudil Hydrochloride | HB2293 | BS-15717 | HA-1100*hydrochloride | Hydroxyfasudil (

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

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

Specifications

Sinónimos

155558-32-0 (HCl salt) | FD5036 | H1745 | HA 1100 hydrochloride | SR-00000002171 | 5-((1, 4-diazepan-1-yl)sulfonyl)isoquinolin-1-ol hydrochloride | AKOS024457085 | Hydroxy Fasudil Hydrochloride | HB2293 | BS-15717 | HA-1100*hydrochloride | Hydroxyfasudil (

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Selective, ATP-competitive, reversible Rho-kinase inhibitor (IC 50 values are 0.6 and 0.8 μM for Rock-1 and Rock-2, respectively). Cell-permeable active Fasudil metabolite.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged, Desiccated

Enviado en

Ice chest + Ice pads

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

Nota

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 month. 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.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O.Cl
• IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one;hydrochloride
• InChIKey: XWWFOUVDVJGNNG-UHFFFAOYSA-N
• INCHI: 1S/C14H17N3O3S.ClH/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17;/h1,3-5,7,15H,2,6,8-10H2,(H,16,18);1H
• Isómeros SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O.Cl
• Peso molecular: 343.83
• Reaxy-Rn: 29628107
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29628107&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoquinolines and derivatives
• Subclass: Isoquinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolones and derivatives
• Alternative Parents: Pyridinones 1,4-diazepanes Organosulfonamides Benzenoids Sulfonyls Heteroaromatic compounds Lactams Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinolone - 1,4-diazepane - Diazepane - Pyridinone - Pyridine - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Secondary aliphatic amine - Azacycle - Secondary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water to 25 mM
• Sensibilidad: Air Sensitive,Hygroscopic,Heat Sensitive
• Punto de fusión (°C): 299 °C(dec.)
• Peso molecular: 343.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 343.076 Da
• Monoisotopic Mass: 343.076 Da
• Topological Polar Surface Area: 86.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 526.000
• 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