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202350-68-3,MFCD12756329
Catalog No.:AA0039UY

202350-68-3 | Pnu-159682

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$88.00   $61.00
- +
5mg
98%
in stock  
$193.00   $135.00
- +
10mg
98%
in stock  
$302.00   $212.00
- +
25mg
98%
in stock  
$600.00   $420.00
- +
50mg
98%
in stock  
$927.00   $649.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0039UY
Chemical Name:
Pnu-159682
CAS Number:
202350-68-3
Molecular Formula:
C32H35NO13
Molecular Weight:
641.6192
MDL Number:
MFCD12756329
SMILES:
CO[C@H]1OCCN2[C@@H]1O[C@H]1[C@@H]2C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO
Properties
Computed Properties
 
Complexity:
1200  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
6  
XLogP3:
2.4  

Downstream Synthesis Route
202350-68-3    59483-84-0   
2-oxo-2-((2S,4S)-2,5,12-trihydroxy-7-methoxy-4-(((1S,3R,4aS,9S,9aR,10aS)-9-methoxy-1-methyloctahydro-1H-pyrano4’,3’:4,5oxazolo2,3-c1,4oxazin-3-yl)oxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl)ethyl(perfluorophenyl)carbonate 

[1]Patent:WO2020/65408,2020,A1.Locationinpatent:Page/Pagecolumn131;140-142

Literature

Title: In vitro hepatic conversion of the anticancer agent nemorubicin to its active metabolite PNU-159682 in mice, rats and dogs: a comparison with human liver microsomes.

Journal: Biochemical pharmacology 20080915

Title: Formation and antitumor activity of PNU-159682, a major metabolite of nemorubicin in human liver microsomes.

Journal: Clinical cancer research : an official journal of the American Association for Cancer Research 20050215

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SDS
Tags:202350-68-3 Molecular Formula|202350-68-3 MDL|202350-68-3 SMILES|202350-68-3 Pnu-159682