SecinH3

Base Information

• Chemical Name: SecinH3
• CAS No.: 853625-60-2
• Molecular Formula: C24H20N4O4S
• Molecular Weight: 460.513
• European Community (EC) Number: 418-180-8
• DSSTox Substance ID: DTXSID80359866
• Nikkaji Number: J2.393.557K
• Wikidata: Q27164548
• ChEMBL ID: CHEMBL1731533
• Mol file: 853625-60-2.mol

Synonyms:SecinH3

Chemical Property of SecinH3

Chemical Property:

• PSA: 112.80000
• LogP: 4.47540
• Storage Temp.: Store at +4°C
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 460.12052631
• Heavy Atom Count: 33
• Complexity: 644

Purity/Quality:

98%Min ^*data from raw suppliers

SecinH3 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)CSC5=CC=CC=C5
• Uses: SecinH3 is a Sec7 cytohesin inhibitor.

Technology Process of SecinH3

There total 1 articles about SecinH3 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: 57.0%

C16H14N4O3 (1047598-44-6) + (phenylthio)acetic acid (103-04-8) → SecinH3 (853625-60-2)

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; In N,N-dimethyl-formamide; at 22 ℃;

DOI:10.1002/anie.200803962

upstream raw materials:

C₁₆H₁₄N₄O₃

(phenylthio)acetic acid