Iodo-willardiine

Base Information

• Chemical Name: Iodo-willardiine
• CAS No.: 140187-25-3
• Molecular Formula: C₇H₈IN₃O₄
• Molecular Weight: 325.063
• DSSTox Substance ID: DTXSID90332246
• Nikkaji Number: J669.187K
• Wikipedia: 5-Iodowillardiine
• Wikidata: Q4639618
• Pharos Ligand ID: FXZR2K9ARV2C
• Metabolomics Workbench ID: 147372
• ChEMBL ID: CHEMBL121915
• Mol file: 140187-25-3.mol

Synonyms:5-iodowillardiine

Chemical Property of Iodo-willardiine

Chemical Property:

• PSA: 118.18000
• LogP: -0.74660
• Storage Temp.: Store at RT
• XLogP3: -3.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 324.95595
• Heavy Atom Count: 15
• Complexity: 354

Purity/Quality:

≥98% by HPLC ^*data from raw suppliers

(S)-(-)-5-Iodowillardiine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)I
• Isomeric SMILES: C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I
• Uses: (S)-(-)-5-Iodowillardiine is a compound that contains a high affinity for the kainate receptor subtype hGluR5..

Technology Process of Iodo-willardiine

There total 1 articles about Iodo-willardiine 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:

(S)-2-tert-Butoxycarbonylamino-3-(5-iodo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid → 5-(S)-Iodowillardiine (140187-25-3)

Guidance literature:

With trifluoroacetic acid; Yield given; Ambient temperature;

DOI:10.1021/jm9702387