Antimycin A3

Base Information

Chemical Name:Antimycin A3
CAS No.:116095-17-1
Molecular Formula:C₂₆H₃₆N₂O₉
Molecular Weight:520.58
Hs Code.:
European Community (EC) Number:208-335-6
NSC Number:58239
UNII:97YBD5W80B
DSSTox Substance ID:DTXSID7037189
Nikkaji Number:J1.831.140B
Wikipedia:Blastmycin
Wikidata:Q27272047
Pharos Ligand ID:RDPHFQZQADGR
Metabolomics Workbench ID:48408
ChEMBL ID:CHEMBL436605

Synonyms:ANTIMYCIN A(3);blastmycin;blastomycin

Suppliers and Price of Antimycin A3

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 0 raw suppliers

Chemical Property of Antimycin A3

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:520.24208073
Heavy Atom Count:37
Complexity:818

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C
Isomeric SMILES:CCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C
Recent ClinicalTrials:A Phase I Open Label Study to Assess PK and Safety of Plant Cannabis Extract

Technology Process of Antimycin A3

There total 30 articles about Antimycin A3 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: 100.0%

: 896434-12-1
3-Methyl-butyric acid (2R,3S,6S,7R,8R)-3-(2-benzyloxy-3-formylamino-benzoylamino)-8-butyl-2,6-dimethyl-4,9-dioxo-[1,5]dioxonan-7-yl ester

: 22083-60-9,41955-14-0,116095-17-1,139066-86-7
antimycin A3

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethyl acetate; at 30 ℃; for 6.5h; under 760 Torr;
DOI:10.1021/jo0604890

Reference yield:

: 53346-04-6
3-Methyl-butyric acid (2R,3S,6S,7R,8R)-3-amino-8-butyl-2,6-dimethyl-4,9-dioxo-[1,5]dioxonan-7-yl ester

: 22083-60-9,41955-14-0,116095-17-1,139066-86-7
antimycin A3

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / HOBt; EDC*HCl; N-methylmorpholine / dimethylformamide / 23 h / 30 °C

2: 100 percent / hydrogen / Pd/C / ethyl acetate / 6.5 h / 30 °C / 760 Torr

With 4-methyl-morpholine; hydrogen; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; palladium on activated charcoal; In ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/jo0604890

Reference yield:

: 142-61-0
Hexanoyl chloride

: 22083-60-9,41955-14-0,116095-17-1,139066-86-7
antimycin A3

Guidance literature:: Multi-step reaction with 11 steps

1.1: 100 percent / Et₃N; LiCl / tetrahydrofuran / 16.5 h / 20 °C

2.1: TiCl₄; TMEDA / CH₂Cl₂ / 1 h / -20 °C

2.2: 90 percent / CH₂Cl₂ / 9 h / -20 - -5 °C

3.1: 89 percent / pyridine; DMAP / CH₂Cl₂ / 8 h / 0 °C

4.1: 74 percent / DMAP / CH₂Cl₂ / 46.5 h / 20 °C

5.1: 98 percent / NaIO₄ / tetrahydrofuran; H₂O / 3 h / cooling

6.1: 100 percent / N,N'-dicyclohexylcarbodiimide; DMAP / CH₂Cl₂ / 26 h / 20 °C

7.1: 100 percent / hydrogen / Pd(OH)2/C / methanol / 8 h / 40 °C / 22800 Torr

8.1: 62 percent / DMAP; 2-methyl-6-nitrobenzoic acid anhydride; molecular sieves 4 Angstroem / toluene / 16 h / 20 °C

9.1: 100 percent / trifluoroacetic acid / CH₂Cl₂ / 9.5 h / 20 °C

10.1: 94 percent / HOBt; EDC*HCl; N-methylmorpholine / dimethylformamide / 23 h / 30 °C

11.1: 100 percent / hydrogen / Pd/C / ethyl acetate / 6.5 h / 30 °C / 760 Torr

With 4-methyl-morpholine; pyridine; dmap; sodium periodate; N,N,N,N,-tetramethylethylenediamine; 4 A molecular sieve; 2-methyl-6-nitrobenzoic anhydride; hydrogen; titanium tetrachloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; lithium chloride; palladium dihydroxide; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jo0604890