HA 1100 hydrochloride (Hydroxyfasudil) - 10mM in DMSO , CAS No.155558-32-0

CAS: 155558-32-0 Cat. No.: H421852 Molecular Weight: 343.83 EC Number: 683-374-3

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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

Specifications

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 (

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

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.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O.Cl
• Molecular Weight: 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
    • Class Isoquinolines and derivatives
      • Subclass Isoquinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Hygroscopic,Heat Sensitive
• Melt Point(°C): 299 °C(dec.)
• Molecular Weight: 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

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