Pinacidil

Base Information

• Chemical Name: Pinacidil
• CAS No.: 60560-33-0
• Deprecated CAS: 113563-69-2
• Molecular Formula: C₁₃H₁₉N₅
• Molecular Weight: 245.327
• Hs Code.: 2933399090
• European Community (EC) Number: 262-294-9,622-053-4
• NSC Number: 759588
• UNII: BB4UGO5K0D
• DSSTox Substance ID: DTXSID7048249
• Nikkaji Number: J22.057D
• Wikipedia: Pinacidil
• Wikidata: Q821869
• NCI Thesaurus Code: C143025
• Pharos Ligand ID: QNCQVXFA1ZP4
• Metabolomics Workbench ID: 149963
• ChEMBL ID: CHEMBL1159
• Mol file: 60560-33-0.mol

Synonyms:Anhydrous, Pinacidil;Pinacidil;Pinacidil Anhydrous;Pindac

Chemical Property of Pinacidil

Chemical Property:

• Melting Point: 110-114℃
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 378.29°C (rough estimate)
• PKA: 7.36±0.10(Predicted)
• PSA: 73.10000
• Density: 1.1402 (rough estimate)
• LogP: 2.81868
• Solubility.: ethanol: 14 mg/mL
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 245.16404563
• Heavy Atom Count: 18
• Complexity: 327

Purity/Quality:

98%Min ^*data from raw suppliers

Pinacidil monohydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(C)(C)C)N=C(NC#N)NC1=CC=NC=C1
• Uses: Antihypertensive. Pinacidil Monohydrate is a K+ channel opener, used to induce relaxation of serotonin-produced contractions in porcine and human arterial rings. Vasodilator. Antihypertensive agent.

Technology Process of Pinacidil

There total 6 articles about Pinacidil 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: 80.0%

CYANAMID (420-04-2) + 1-Pyridin-4-yl-3-(1,2,2-trimethyl-propyl)-thiourea (67027-06-9) → pinacidil (60560-33-0)

Guidance literature:

With triethylamine; dicyclohexyl-carbodiimide; In ethyl acetate; for 168h; Ambient temperature;

Reference yield: 53.5%

2,2-dimethyl-1-methylpropylamine (3850-30-4) + 4-pyridylcyaniminothiocarbamic acid (94923-30-5) → pinacidil (60560-33-0)

Guidance literature:

With 2`,3`-dideoxycytidine; In N,N-dimethyl-formamide; for 144h; Ambient temperature;

Reference yield:

N-pyridin-4-yl-N'-1,2,2-trimethylpropylcarbodiimide → pinacidil (60560-33-0)

Guidance literature:

upstream raw materials:

4-pyridyldithiocarbamic acid zwitterion

2,2-dimethyl-1-methylpropylamine

CYANAMID

4-pyridylcyaniminothiocarbamic acid

Refernces

• 1、 -. "Antihypertensive pyridylguanidine compounds". . . Retrieved 2008/06/13.