CKI-7 dihydrochloride - ≥98%(HPLC) , CAS No.1177141-67-1

CAS: 1177141-67-1 Cat. No.: N134264 Molecular Weight: 358.67 EC Number: 689-633-7 PubChem CID: 16078955

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide;dihydrochloride | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE DIHYDROCHLORIDE | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDEDIHYDROCHLORIDE | CKI 7 2HCl | BC162796 | N-(2-Aminoethyl)-5-chl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

An inhibitor of CK1, SGK, S6K1 and MSK1

Specifications

Synonyms

N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide;dihydrochloride | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE DIHYDROCHLORIDE | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDEDIHYDROCHLORIDE | CKI 7 2HCl | BC162796 | N-(2-Aminoethyl)-5-chl

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

CKI-7 dihydrochloride is a CK1 inhibitor which also inhibits SGK, S6K1 and MSK1. It inhibits SGK as potently as CK1.Casein kinase 1 inhibitor. Water soluble analog of CKI-7 . Inhibits SGK, S6K1 and MSK1. Induces retinal cell differentiation. Phosphorylate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Note

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. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=CC(=C2C=CN=CC2=C1S(=O)(=O)NCCN)Cl.Cl.Cl
• IUPAC Name: N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide;dihydrochloride
• InChIKey: JUAVTXYOCISSSL-UHFFFAOYSA-N
• INCHI: 1S/C11H12ClN3O2S.2ClH/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10;;/h1-3,5,7,15H,4,6,13H2;2*1H
• Isomeric SMILES: C1=CC(=C2C=CN=CC2=C1S(=O)(=O)NCCN)Cl.Cl.Cl
• WGK Germany: 3
• Alternate CAS: 120615-25-0（free）
• PubChem CID: 16078955
• Molecular Weight: 358.67

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Pyridines and derivatives Organosulfonamides Benzenoids Aryl chlorides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organochlorides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Azacycle - Amine - Hydrochloride - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water: >5 mg/mL
• Molecular Weight: 358.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 356.987 Da
• Monoisotopic Mass: 356.987 Da
• Topological Polar Surface Area: 93.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 371.000
• 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: 3

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