Zoniporide

Base Information

• Chemical Name: Zoniporide
• CAS No.: 241800-98-6
• Molecular Formula: C₁₇H₁₆N₆O
• Molecular Weight: 320.354
• European Community (EC) Number: 695-536-0
• UNII: 8841R2UJPG
• DSSTox Substance ID: DTXSID0057883
• Nikkaji Number: J1.501.827E
• Wikidata: Q27269884
• NCI Thesaurus Code: C66711
• Pharos Ligand ID: VCXPWT5CX4CR
• ChEMBL ID: CHEMBL355862
• Mol file: 241800-98-6.mol

Synonyms:(1-(quinolin-5-yl)-5-cyclopropyl-1H-pyrazole-4-carbonyl)guanidine;(1-(quinolin-5-yl)-5-cyclopropyl-1H-pyrazole-4-carbonyl)guanidine hydrochloride monohydrate;CP 597,396;CP 597396;CP-597,396;CP-597396;zoniporide

Chemical Property of Zoniporide

Chemical Property:

• Vapor Pressure: 6.53E-14mmHg at 25°C
• Boiling Point: 590.3°Cat760mmHg
• PKA: 11.44±0.46(Predicted)
• Flash Point: 310.8°C
• PSA: 113.17000
• Density: 1.54g/cm³
• LogP: 3.29600
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble2mg/mL, clear (warmed)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 320.13855916
• Heavy Atom Count: 24
• Complexity: 515

Purity/Quality:

98%,99%, ^*data from raw suppliers

Zoniporide hydrochloride hydrate ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N
• Uses: Zoniporide hydrochloride hydrate has been used for the inhibition of sodium-hydrogen exchanger isoform 1 (NHE-1) in rat models. It has also been used in cytotoxicity assay and to study its effect on lymphocytic choriomeningitis virus multiplication.

Technology Process of Zoniporide

There total 11 articles about Zoniporide 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: 79.0%

guanidine hydrochloride (50-01-1) + 5-cyclopropyl-1-quinolin-5-yl-1H-pyrazole-4-carboxylic acid chloride (340774-27-8) → Zoniporide (241800-98-6)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

Reference yield: 79.0%

guanidine hydrochloride (50-01-1) + guanidine nitrate (113-00-8) + 5-cyclopropyl-1-(quinolin-5-yl)-1H-pyrazole-4-carboxylic acid (241798-75-4) → zoniporide (241800-98-6)

Guidance literature:

With sodium hydroxide; thionyl chloride; In tetrahydrofuran; methanol; toluene;

Reference yield: 76.0%

guanidine hydrochloride (50-01-1) + ethyl 5-cyclopropyl-1-(quinolin-5-yl)-1H-pyrazole-4-carboxylate (241798-48-1) → zoniporide (241800-98-6)

Guidance literature:

guanidine hydrochloride; With sodium methylate; In ethanol; toluene;

ethyl 5-cyclopropyl-1-(quinolin-5-yl)-1H-pyrazole-4-carboxylate; In ethanol; toluene;

upstream raw materials:

guanidine hydrochloride

5-cyclopropyl-1-quinolin-5-yl-1H-pyrazole-4-carboxylic acid chloride

guanidine nitrate

ethyl 5-cyclopropyl-1-(quinolin-5-yl)-1H-pyrazole-4-carboxylate

Refernces

• 1、 -. "SODIUM-HYDROGEN EXCHANGER TYPE 1 INHIBITOR CRYSTALS". Page 15;8. . Retrieved 2008/06/13.
• 2、 -. "METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS". . . Retrieved 2008/06/13.