Ypr5E3J77X

Base Information

• Chemical Name: Ypr5E3J77X
• CAS No.: 113276-94-1
• Molecular Formula: C₁₂H₁₅N₃O₂S
• Molecular Weight: 265.336
• Hs Code.: 29334990
• UNII: YPR5E3J77X
• Mol file: 113276-94-1.mol

Synonyms:YPR5E3J77X;116970-62-8;UNII-YPR5E3J77X;N-(2-(Methylamino)ethyl)isoquinoline-5-sulfonamide hydrochloride;5-Isoquinolinesulfonamide, N-(2-(methylamino)ethyl)-, monohydrochloride;N-[2-(Methylamino)ethyl]-5-isoquinolinesulfonamide DiHCl;SCHEMBL3968992;AKOS025987983;Z1491278660;N-[2-(methylamino)ethyl]-5-isoquinoline sulfonamide hydrochloride;N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide;hydrochloride

Chemical Property of Ypr5E3J77X

Chemical Property:

• Appearance/Colour: white to off-white crystalline solid
• Vapor Pressure: 3.79E-09mmHg at 25°C
• Melting Point: 221-222℃ (methanol water )
• Boiling Point: 473.9 °C at 760 mmHg
• Flash Point: 240.4 °C
• PSA: 79.47000
• LogP: 4.19910
• Storage Temp.: 2-8°C
• Solubility.: ethanol: 25 mg/mL, clear, colorless
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 301.0651756
• Heavy Atom Count: 19
• Complexity: 353

Purity/Quality:

97% ^*data from raw suppliers

H-8 dihydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2.Cl
• Description: The H series isoquinolinesulfonamide protein kinase (PK) inhibitors are widely used to block signaling pathways to elucidate mechanisms of cellular regulation and signal transduction. H-8, an isoquinolinesulfonamide protein kinase (PK) inhibitor, is a potent inhibitor of PKA and PKG and shows moderate inhibition for PKC and MLCK with Ki values of 1.2, 0.48, 15, and 68 μM, respectively. H-8 can disrupt transcriptional elongation by inhibiting cyclin C/Cdk8 and cyclin H/Cdk7/p36 CTD kinase activity with IC50 values of 47 and 6.2 μM, respectively.
• Uses: Active inhibitor of cyclic-nucleotide-dependent protein kinases.

Technology Process of Ypr5E3J77X

There total 4 articles about Ypr5E3J77X which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 64.0%

N-[2-(N-methyl-N-benzylamino)ethyl]-5-isoquinolinesulfonamide → N-(2-methylaminoethyl)-5-isoquinolinesulfonamide (113276-94-1,84478-11-5)

Guidance literature:

palladium-carbon; In ethanol; hydrogen;

Reference yield:

5-isoquinolinesulfonyl chloride (84468-15-5) → N-(2-methylaminoethyl)-5-isoquinolinesulfonamide (113276-94-1,84478-11-5)

Guidance literature:

Multi-step reaction with 3 steps

1: CH₂Cl₂ / 1 h / Ambient temperature

2: pyridine / Ambient temperature

3: methanol; CH₂Cl₂ / 2 h / Ambient temperature

With pyridine; In methanol; dichloromethane;

DOI:10.1021/jm00121a009

Reference yield:

N-(2-hydroxyethyl)-5-isoquinolinesulfonamide (116700-33-5) → N-(2-methylaminoethyl)-5-isoquinolinesulfonamide (113276-94-1,84478-11-5)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / Ambient temperature

2: methanol; CH₂Cl₂ / 2 h / Ambient temperature

With pyridine; In methanol; dichloromethane;

DOI:10.1021/jm00121a009

upstream raw materials:

Toluene-4-sulfonic acid 2-(isoquinoline-5-sulfonylamino)-ethyl ester

methylamine

5-isoquinolinesulfonyl chloride

N-(2-hydroxyethyl)-5-isoquinolinesulfonamide

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