What is the molecular formula of isoquinoline-5-sulfonyl chloride hydrochloride?
The molecular formula is C9H7Cl2NO2S.
What is the molecular weight of isoquinoline-5-sulfonyl chloride hydrochloride?
The molecular weight is 264.13 g/mol.
How is isoquinoline-5-sulfonyl chloride hydrochloride represented in 2D structure?
The 2D structure can be viewed at the following link: https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=13116932&t=s.
What are the synonyms of isoquinoline-5-sulfonyl chloride hydrochloride?
The synonyms include 105627-79-0, Isoquinoline-5-sulphonvl chloride hydrochloride, Isoquinoline-5-sulfonyl chloride HCl, and ISOQUINOLINE-5-SULFONYL CHLORIDE, HYDROCHLORIDE.
What is the IUPAC name of isoquinoline-5-sulfonyl chloride hydrochloride?
The IUPAC name is isoquinoline-5-sulfonyl chloride; hydrochloride.
What is the InChI key for isoquinoline-5-sulfonyl chloride hydrochloride?
The InChI key is GZQNTWHQJJVIAK-UHFFFAOYSA-N.
How many hydrogen bond donor counts does isoquinoline-5-sulfonyl chloride hydrochloride have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does isoquinoline-5-sulfonyl chloride hydrochloride have?
It has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of isoquinoline-5-sulfonyl chloride hydrochloride?
The topological polar surface area is 55.4Ų.
How many covalently-bonded units does isoquinoline-5-sulfonyl chloride hydrochloride have?
It has 2 covalently-bonded units.
Isoquinoline-5-Sulfonyl Chloride Hydrochloride in The Synthesis Process of Fasudil Hydrochloride
Song M, et al. Journal of separation science, 2014, 37(7), 758-763.
Fasudil hydrochloride is a potent Rho kinase inhibitor and vasodilator. According to the basic principle of quality by design, relevant impurities in the production process of fasudil hydrochloride API were studied. Among them, isoquinoline-5-sulfonyl chloride hydrochloride is one of the important raw materials in the synthesis step of fasudil hydrochloride. Origins of and approaches to eliminate impurities · Impurity I was isoquinoline-5-sulfonic acid, the starting material of fasudil hydrochloride, which can be removed by recrystallization. · Impurity II was formed by a side reaction of isoquinoline-5-sulfonic acid with thionyl chloride, which can be reduced by lowered reaction temperature. · Impurity III was attributed to the double condensation reaction of homopiperazine with excess isoquinoline5-sulfonyl chloride during the synthesis, which can be eliminated by the control of starting materials ratio and the order of addition. · The modified synthetic process: In the original synthetic processes, an equal molar amount of 1,4-diazepine was added dropwise into isoquinoline-5-sulfonyl chloride solution in which the sulfonyl chloride was always in excess. Subsequently, in order to reduce the possibility of the formation and to eliminate impurity III, isoquinoline-5-sulfonyl chloride solution was added slowly into 1,4-diazepine solution with stirring.
Isoquinoline-5-Sulfonyl Chloride Hydrochloride Used in the Synthesis of HIV-1 Integrase Inhibitors
Makhija M T, et al. Bioorganic & medicinal chemistry, 2004, 12(9), 2317-2333.
A series of compounds were designed and synthesized using a de novo drug design approach, and their potential as HIV-1 integrase inhibitors was explored. It involves the synthesis steps of isoquinoline-5-sulfonyl chloride hydrochloride and its further use in the synthesis of compound 4-7 in this work. · Synthesis of isoquinoline-5-sulfonyl chloride hydrochloride (3) A mixture of isoquinoline-5-sulfonic acid, 2 (4 g, 0.019 mol), thionyl chloride (25 mL), and dimethylformamide (0.1 mL) was refluxed for 2 h, and the excess thionyl chloride was distilled off in vacuo. The residue was suspended in dichloromethane, filtered, washed and dried to obtain crude crystalline isoquinoline-5-sulfonyl chloride hydrochloride. · General procedure for the synthesis of compounds 4-7 To an ice cooled suspension of isoquinoline-5-sulfonyl chloride hydrochloride (5 g, 0.018 mol) in 20 mL dichloromethane, a mixture of substituted amine (0.018 mol) and pyridine (2.84 g, 0.036 mol) dissolved in 50 mL of dichloromethane was added in a dropwise manner with stirring over a period of 15 min. The reaction mixture was stirred for 1 h at 0-5 °C, and then at room temperature for 3-5 h. It was then washed with brine and dried over anhydrous sodium sulfate. The dried extract was evaporated to get the crude substituted isoquinoline-5-sulfonamide.
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