Phosphoramidon

Base Information

• Chemical Name: Phosphoramidon
• CAS No.: 36357-77-4
• Molecular Formula: C23H34N3O10P
• Molecular Weight: 543.511
• European Community (EC) Number: 252-996-3
• UNII: T3G94E2LB1
• DSSTox Substance ID: DTXSID601317292
• Nikkaji Number: J18.388A
• Wikipedia: Phosphoramidon
• Wikidata: Q7187544
• Pharos Ligand ID: XR9AFC9QP1RG
• Metabolomics Workbench ID: 69920
• ChEMBL ID: CHEMBL479579
• Mol file: 36357-77-4.mol

Synonyms:2-((2-((hydroxy((3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)phosphoryl)amino)-4-methylpentanoyl)amino)-3-(1H-indol-3-yl)propionate disodium salt;N-(alpha-L-rhamnopyranosyloxyhydroxyphosphinyl)-L- leucyl-L-tryptophan;phosphoramidon

Chemical Property of Phosphoramidon

Chemical Property:

• PKA: -0.66±0.50(Predicted)
• PSA: 220.48000
• Density: 1.48 g/cm³
• LogP: 1.01040
• Storage Temp.: −20°C
• Solubility.: H2O: 1 mM Stock solution stable for 1 month at –20&#
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 543.19818129
• Heavy Atom Count: 37
• Complexity: 848

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O

Technology Process of Phosphoramidon

There total 2 articles about Phosphoramidon 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: 15.0%

(S)-3-(1H-Indol-3-yl)-2-{(S)-4-methyl-2-[phenoxy-((3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-pentanoylamino}-propionic acid ethyl ester → phosphoramidon (36357-77-4) + phosphoramidon

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; for 48h; Ambient temperature;

DOI:10.1016/0040-4039(95)00024-7

Reference yield:

N-Phospho-L-leucyl-L-tryptophan (56361-75-2) + thymidine 5'-diphospho-β-L-rhamnose (2147-59-3,62012-79-7) → phosphoramidon (36357-77-4)

Guidance literature:

With glycosyltransferase TalC; at 30 ℃; for 16h; Catalytic behavior; Enzymatic reaction;

DOI:10.1039/c9sc00641a

Reference yield:

Talopeptin (36357-77-4,79733-80-5,84235-60-9,121570-15-8) → 6-Deoxy-L-talose (7658-10-8,478518-52-4) + L-leucyl-L-tryptophan (5156-22-9)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/S0040-4039(00)87331-1

upstream raw materials:

N-Phospho-L-leucyl-L-tryptophan

thymidine 5'-diphospho-β-L-rhamnose

Downstream raw materials:

6-Deoxy-L-talose

L-leucyl-L-tryptophan

Refernces

Structure-based design of dipeptide derivatives for the human neutral endopeptidase

10.1016/j.bmc.2011.08.064

The research focuses on the structure-based design of dipeptide derivatives as inhibitors for human neutral endopeptidase (NEP), an enzyme that plays a key role in the metabolic inactivation of various bioactive peptides. The study utilized the X-ray crystal structure of human NEP complexed with phosphoramidon to gain insights into the active site specificity of NEP. Using in silico molecular modeling, new inhibitors were designed and synthesized through short chemical steps. The designed compounds, including derivatives of N-(carboxymethyl)-L-phenylalanyl-b-alanine, were found to be highly effective with sub-nanomolar IC50 values, indicating the success of the structure-based molecular designing program. Key chemicals involved in the research include phosphoramidon, which was used as a reference inhibitor, and various amino acid derivatives such as Boc-3-(4-biphenylyl)-L-alanine and b-alanine benzyl ester p-toluenesulfonate, which were used in the synthesis of the designed inhibitors. The study also employed benzyl bromoacetate and formic acid in the synthesis process, and utilized molecular docking software like AutoDock 4.2 for computational design and analysis.

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