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PNU-159682

Catalog No.: 16071409
Cas No.: 202350-68-3
Purity : 98% by HPLC 
16071409 - PNU-159682 | CAS 202350-68-3

Catalog number : 16071409

CAS number : 202350-68-3

Molecular Formula : C32H37NO12 

Molecular Weight : 627.643 

Iupac Chemical Name : (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-7-(((1S,3R,4aS,9S,9aR,10aS)-9-methoxy-1-methyloctahydro-1H-pyrano[4',3':4,5]oxazolo[2,3-c][1,4]oxazin-3-yl)oxy)-7,9,10,12-tetrahydrotetracen-5(8H)-one 

Smile : OC1=C2C(C=3C(=CC=CC3CC2=C(C=2C[C@](C[C@@H](C12)O[C@H]1C[C@H]2[C@H](O[C@@H]3[C@H](OCCN32)OC)[C@@H](O1)C)(C(CO)=O)O)O)OC)=O

InChiKey : NOGFHSKHNYEVCK-DQTAREDWSA-N

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SynonymsPNU-159682; PNU 159682; 
Molecular FormulaC32H37NO12 
Molecular Weight627.643 
AppearanceSolid powder 
Purity98% by HPLC 
SolubilitySoluble in DMSO 
Storage-20 ºC for 3 years 
Shipping ConditionShipped under ambient temperature 
SmileOC1=C2C(C=3C(=CC=CC3CC2=C(C=2C[C@](C[C@@H](C12)O[C@H]1C[C@H]2[C@H](O[C@@H]3[C@H](OCCN32)OC)[C@@H](O1)C)(C(CO)=O)O)O)OC)=O
InChiKeyNOGFHSKHNYEVCK-DQTAREDWSA-N
InChiInChI=1S/C32H37NO12/c1-14-29-18(33-7-8-42-31(41-3)30(33)45-29)10-22(43-14)44-20-12-32(39,21(35)13-34)11-17-24(20)28(38)25-16(26(17)36)9-15-5-4-6-19(40-2)23(15)27(25)37/h4-6,14,18,20,22,29-31,34,36,38-39H,7-13H2,1-3H3/t14-,18-,20-,22-,29+,30+,31-,32-/m0/s1
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PNU-159682 is a major active metabolite of nemorubicin (MMDX) in human liver microsomes. PNU-159682 showed > 3,000-fold cytotoxic than its parent compound(MMDX and doxorubicin). PNU-159682 interacts with DNA fragments d(CGTACG)(2), d(CGATCG)(2) and d(CGCGCG)(2) and shows a strong but reversible binding to G:C base pairs. 

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