Trapidil

Base Information

• Chemical Name: Trapidil
• CAS No.: 15421-84-8
• Molecular Formula: C10H15N5
• Molecular Weight: 205.263
• Hs Code.: 2933990090
• European Community (EC) Number: 239-434-2
• UNII: EYG5Y6355E
• DSSTox Substance ID: DTXSID0045416
• Nikkaji Number: J3.445B
• Wikipedia: Trapidil
• Wikidata: Q2449982
• NCI Thesaurus Code: C66615
• Metabolomics Workbench ID: 152307
• ChEMBL ID: CHEMBL132767
• Mol file: 15421-84-8.mol

Synonyms:Rocornal;Trapidil;Trapymin

Chemical Property of Trapidil

Chemical Property:

• Melting Point: 98-99.4° (Pfeifer); 102-104° from heptane (Tenor)
• Refractive Index: 1.625
• PKA: pKs = 2.79(at 25℃)
• PSA: 46.32000
• Density: 1.21 g/cm³
• LogP: 1.27890
• Storage Temp.: room temp
• Solubility.: H2O: ≥15mg/mL
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 205.13274550
• Heavy Atom Count: 15
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

Trapidil ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC(=NC2=NC=NN12)C
• Uses: Vasodilator;PDGF antagonist
• Therapeutic Function: Coronary vasodilator

Technology Process of Trapidil

There total 3 articles about Trapidil 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:

4,7-dihydro-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine (35523-67-2) → trapidil (15421-84-8)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃

With trichlorophosphate;

Reference yield:

7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (24415-66-5) + diethylamine (109-89-7) → trapidil (15421-84-8)

Guidance literature:

Reference yield:

→ trapidil (15421-84-8)

Guidance literature:

entspr. Cl-Verb.,Subst. m. Amin;

upstream raw materials:

7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

diethylamine

4,7-dihydro-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine

Refernces