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

COA

Grade & Purity:

10mM in DMSO

Cas Number: 155558-32-0
Molecular Weight: 343.83
PubChem CID: 11371328

In stock

Item Number

H421852

Grouped product items
SKU	Size	Availability	Price	Qty
H421852-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

Selective, ATP-competitive, reversible Rho-kinase inhibitor

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Cell Cycle (2830) Compound libraries (12325)

Basic Description

Synonyms	Hydroxyfasudil Hydrochloride \| 155558-32-0 \| HA 1100 hydrochloride \| Hydroxyfasudil (hydrochloride) \| Hydroxyfasudil HCl \| Hydroxy Fasudil Hydrochloride \| HA-1100 hydrochloride;HA 1100 hydrochloride;HA1100 hydrochloride \| 5-((1,4-Diazepan-1-yl)sulfonyl)isoquinolin-1(2H
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 Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

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
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

Names and Identifiers

IUPAC Name	5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one;hydrochloride
INCHI	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
InChIKey	XWWFOUVDVJGNNG-UHFFFAOYSA-N
Smiles	C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O.Cl
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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Air Sensitive,Hygroscopic,Heat Sensitive
Melt Point(°C)	299 °C(dec.)
Molecular Weight	343.800 g/mol
XLogP3
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 Å²
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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