Philanthotoxin 433 tris(trifluoroacetate) salt

Base Information

• Chemical Name: Philanthotoxin 433 tris(trifluoroacetate) salt
• CAS No.: 276684-27-6
• Molecular Formula: C23H41N5O3.3C2HF3O2
• Molecular Weight: 777.675
• European Community (EC) Number: 692-989-6
• DSSTox Substance ID: DTXSID80585249
• Mol file: 276684-27-6.mol

Synonyms:Philanthotoxin 433 tris(trifluoroacetate) salt;276684-27-6;PhTX-433 tris(trifluoroacetate) salt;N-[(2S)-1-[4-[3-(3-aminopropylamino)propylamino]butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide;2,2,2-trifluoroacetic acid;Philanthotoxin-433 (TFA);PhTX-433 (TFA);DTXSID80585249;MFCD00661076;J-016848;Philanthotoxin 433 tris(trifluoroacetate) salt, >=98% (HPLC), powder;(S)-N-[4-[[3-[(3-Aminopropyl)amino]propyl]amino]butyl]-4-hydroxy-alpha-[(1-oxobutyl)amino]benzenepropanamide tris(trifluoroacetate) salt;Benzenepropanamide, N-[4-[[3-[(3-aminopropyl)amino]propyl]amino]butyl]-4-hydroxy-.alpha.-[(1-oxobutyl)amino]-, (.alpha.S)-, tris(trifluoroacetate) (salt);Trifluoroacetic acid--N-[4-({3-[(3-aminopropyl)amino]propyl}amino)butyl]-Nalpha-butanoyl-L-tyrosinamide (3/1)

Chemical Property of Philanthotoxin 433 tris(trifluoroacetate) salt

Chemical Property:

• Storage Temp.: −20°C
• Solubility.: H2O: ≥10mg/mL
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 18
• Exact Mass: 777.29953146
• Heavy Atom Count: 52
• Complexity: 554

Purity/Quality:

97% ^*data from raw suppliers

(S)-N-[4-[[3-[(3-AMINOPROPYL)AMINO]PROPYL]AMINO]BUTYL]-4-HYDROXY-ALPHA-[(1-OXOBUTYL)AMINO]BENZENEPROPANAMIDE TRIS(TRIFLUOROACETATE) SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCCNCCCNCCCN.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
• Isomeric SMILES: CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCCCCNCCCNCCCN.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Technology Process of Philanthotoxin 433 tris(trifluoroacetate) salt

There total 1 articles about Philanthotoxin 433 tris(trifluoroacetate) salt 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: 23.0%

γ-<<<β-(trimethylsilyl)ethoxy>carbonyl>amino>propanol (81616-21-9) + (S)-N-Fmoc-O-(tert-butyl)tyrosine + trifluoroacetic acid (76-05-1) + 4-{N-[2-(Trimethylsilyl)ethoxycarbonyl]amino}butanol (351016-76-7) + butyric acid (107-92-6) → (S)-N-[4-({3-[(3-Aminopropyl)amino]propyl}amino)butyl]-4-hydroxy-α-[(1-oxobutyl)amino]benzenepropanamide tris(trifluoroacetate) (276684-27-6)

Guidance literature:

Multistep reaction;

upstream raw materials:

γ-<<<β-(trimethylsilyl)ethoxy>carbonyl>amino>propanol

trifluoroacetic acid

4-{N-[2-(Trimethylsilyl)ethoxycarbonyl]amino}butanol

butyric acid

Refernces