Pactamycin

Base Information

Chemical Name:Pactamycin
CAS No.:23668-11-3
Deprecated CAS:1405-46-5,30999-13-4,886995-63-7
Molecular Formula:C28H38 N4 O8
Molecular Weight:558.632
Hs Code.:
European Community (EC) Number:684-090-2
UNII:18P04J5471
DSSTox Substance ID:DTXSID801043235
Nikkaji Number:J16.420H
Metabolomics Workbench ID:98939
ChEMBL ID:CHEMBL458512
Mol file:23668-11-3.mol

Synonyms:Pactamycin

Suppliers and Price of Pactamycin

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
Packaging
price

American Custom Chemicals Corporation
PACTAMYCIN 95.00%
5MG
$ 495.11

Total 49 raw suppliers

Chemical Property of Pactamycin

Chemical Property:

Vapor Pressure:6.66E-26mmHg at 25°C
Refractive Index:1.645
Boiling Point:784.2°Cat760mmHg
Flash Point:428.1°C
PSA：194.68000
Density:1.38g/cm³
LogP:1.91870
Storage Temp.:2-8°C
Solubility.:DMSO: ≥12mg/mL
XLogP3:0.9
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:558.26896418
Heavy Atom Count:40
Complexity:951

Purity/Quality:

99%, ^*data from raw suppliers

PACTAMYCIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): T+
Hazard Codes:T+
Statements: 28-36/37/38
Safety Statements: 26-28-36/37-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)O)C(=O)OCC2(C(C(C(C2(C)O)(C(C)O)NC(=O)N(C)C)N)NC3=CC=CC(=C3)C(=O)C)O
Isomeric SMILES:CC1=C(C(=CC=C1)O)C(=O)OC[C@]2([C@H]([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O)N(C)C)N)NC3=CC=CC(=C3)C(=O)C)O

Technology Process of Pactamycin

There total 65 articles about Pactamycin 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: 89.0%

: 1295471-34-9
C₂₈H₃₆N₆O₈

: 23668-11-3,1405-46-5
pactamycin

Guidance literature:: With ammonium chloride; zinc; In ethanol; water; at 20 ℃;
DOI:10.1021/jo301638z

Reference yield: 82.0%

: 1449329-25-2
((1S,2R,3R,4S,5S)-5-((3-acetylphenyl)amino)-4-(((benzyloxy)carbonyl)amino)-3-(3,3-dimethylureido)-1,2-dihydroxy-3-((S)-1-hydroxyethyl)-2-methylcyclopentyl)methyl 2-hydroxy-6-methylbenzoate

: 23668-11-3,1405-46-5
pactamycin

Guidance literature:: With methanol; 20% palladium hydroxide-activated charcoal; hydrogen; for 0.333333h; Sealed tube;

Reference yield:

: 1449329-22-9
benzyl ((1R,2R,3R,4R,5R)-3-((S)-1-((tert-butyldimethylsilyl)oxy)ethyl)-5-(((tert-butyldiphenylsilyl)oxy)methyl)-3-(3,3-dimethylureido)-4-hydroxy-4-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)carbamate

: 23668-11-3,1405-46-5
pactamycin

Guidance literature:: Multi-step reaction with 4 steps

1: scandium tris(trifluoromethanesulfonate) / toluene / 60 °C

2: tetrabutyl ammonium fluoride / tetrahydrofuran / 0 °C

3: potassium carbonate / N,N-dimethyl acetamide

4: 10 wt% Pd(OH)2 on carbon; hydrogen / methanol / 760.05 Torr

With 10 wt% Pd(OH)2 on carbon; tetrabutyl ammonium fluoride; hydrogen; potassium carbonate; scandium tris(trifluoromethanesulfonate); In tetrahydrofuran; methanol; N,N-dimethyl acetamide; toluene;
DOI:10.1126/science.1234756