Home Other Building Blocks Nemorubicin

Nemorubicin

CAS No.:
108852-90-0
Catalog Number:
AG008TIJ
Molecular Formula:
C32H37NO13
Molecular Weight:
643.6351
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
97%
1 week
United States
$973
- +
5mg
97%
1 week
United States
$1690
- +
10mg
97%
1 week
United States
$2557
- +
Product Description
Catalog Number:
AG008TIJ
Chemical Name:
Nemorubicin
CAS Number:
108852-90-0
Molecular Formula:
C32H37NO13
Molecular Weight:
643.6351
MDL Number:
MFCD00871079
IUPAC Name:
(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,5S,6S)-5-hydroxy-4-[(2S)-2-methoxymorpholin-4-yl]-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
InChI:
InChI=1S/C32H37NO13/c1-14-27(36)17(33-7-8-44-22(12-33)43-3)9-21(45-14)46-19-11-32(41,20(35)13-34)10-16-24(19)31(40)26-25(29(16)38)28(37)15-5-4-6-18(42-2)23(15)30(26)39/h4-6,14,17,19,21-22,27,34,36,38,40-41H,7-13H2,1-3H3/t14-,17-,19-,21-,22-,27+,32-/m0/s1
InChI Key:
CTMCWCONSULRHO-UHQPFXKFSA-N
SMILES:
CO[C@H]1OCCN(C1)[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO
UNII:
7618O47BQM
Properties
Complexity:
1160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
643.226g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
643.642g/mol
Monoisotopic Mass:
643.226g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
202A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Quantitative high-throughput profiling of environmental chemicals and drugs that modulate farnesoid X receptor. Scientific reports 20140101
MicroRNA gene dosage alterations and drug response in lung cancer. Journal of biomedicine & biotechnology 20110101
Interaction between double helix DNA fragments and the new antitumor agent sabarubicin, Men10755. Bioorganic & medicinal chemistry 20100215
Down-regulation of the nucleotide excision repair gene XPG as a new mechanism of drug resistance in human and murine cancer cells. Molecular cancer 20100101
Potentiation of methoxymorpholinyl doxorubicin antitumor activity by P450 3A4 gene transfer. Cancer gene therapy 20090501
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. Biochemical pharmacology 20080915
Ongoing phase I and II studies of novel anthracyclines. Cardiovascular toxicology 20070101
Formation and antitumor activity of PNU-159682, a major metabolite of nemorubicin in human liver microsomes. Clinical cancer research : an official journal of the American Association for Cancer Research 20050215
Antitumor activity of methoxymorpholinyl doxorubicin: potentiation by cytochrome P450 3A metabolism. Molecular pharmacology 20050101
LC-MS-MS determination of nemorubicin (methoxymorpholinyldoxorubicin, PNU-152243A) and its 13-OH metabolite (PNU-155051A) in human plasma. Journal of pharmaceutical and biomedical analysis 20021015
Nucleotide-induced conformational changes in the human multidrug resistance protein MRP1 are related to the capacity of chemotherapeutic drugs to accumulate or not in resistant cells. FEBS letters 20010323
Properties