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1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1，4 -diazepine， Hydrochloride - 10mM in DMSO, high purity , CAS No.110448-33-4(DMSO)
Selective inhibitor of myosin light chain kinase
Basic Description
Synonyms
110448-33-4 | ML-7 HYDROCHLORIDE | 1-((5-Iodonaphthalen-1-yl)sulfonyl)-1,4-diazepane hydrochloride | ML-7 HCl | ML 7 hydrochloride | 1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride | ML-7 (hydrochloride) | 1-(5-iodonaphthalen-1-ylsulfonyl)-1,4
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Selective MLCK inhibitor (Ki= 0.3μM). Exhibits more potent inhibition thanML 9 hydrochloride Displays reversible, ATP-competitive inhibition of Ca2+-calmodulin-dependent and -independent smooth muscle MLCKs. Inhibits proplatelet formation and stabilizatio
Storage Temp
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.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
1-naphthalene sulfonic acids and derivatives
Alternative Parents
1-naphthalene sulfonamides 1,4-diazepanes Organosulfonamides Aryl iodides Sulfonyls Dialkylamines Azacyclic compounds Organopnictogen compounds Organoiodides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - 1,4-diazepane - Diazepane - Aryl halide - Aryl iodide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Secondary amine - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-(5-iodonaphthalen-1-yl)sulfonyl-1,4-diazepane;hydrochloride
INCHI
InChI=1S/C15H17IN2O2S.ClH/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18;/h1-2,4-7,17H,3,8-11H2;1H
InChIKey
KDDALCDYHZIZMH-UHFFFAOYSA-N
Smiles
C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3I.Cl
Isomeric SMILES
C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3I.Cl
WGK Germany
3
PubChem CID
9803932
Molecular Weight
452.74
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solvent:DMSO, Max Conc. mg/mL: 22.64, Max Conc. mM: 50
Molecular Weight
452.700 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
451.982 Da
Monoisotopic Mass
451.982 Da
Topological Polar Surface Area
57.800 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
451.000
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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