Synonym
PBI-4DNJ-1; PBI4DNJ-1; PBI 4DNJ-1; PBI-4DNJ1; PBI-4DNJ 1; PBI4DNJ1; PBI 4DNJ 1;
IUPAC/Chemical Name
5,13-di(l1-oxidanyl)-6,12-bis(4-((1-(3-((2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl)propyl)-1H-1,2,3-triazol-4-yl)methoxy)phenoxy)-2,9-bis((1-(3-((2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
InChi Key
YZBSGWYWMOAYRH-XWAPBGMNSA-N
InChi Code
InChI=1S/C84H96N18O26/c103-35-53-73(113)77(117)59(109)31-93(53)13-1-17-97-25-41(85-89-97)29-101-81(121)49-21-57(107)67-69-63(127-47-9-5-45(6-10-47)125-39-43-27-99(91-87-43)19-3-15-95-33-61(111)79(119)75(115)55(95)37-105)23-51-66-52(84(124)102(83(51)123)30-42-26-98(90-86-42)18-2-14-94-32-60(110)78(118)74(114)54(94)36-104)24-64(70(72(66)69)68-58(108)22-50(82(101)122)65(49)71(67)68)128-48-11-7-46(8-12-48)126-40-44-28-100(92-88-44)20-4-16-96-34-62(112)80(120)76(116)56(96)38-106/h5-12,21-28,53-56,59-62,73-80,103-106,109-120H,1-4,13-20,29-40H2/t53-,54-,55-,56-,59+,60+,61+,62+,73-,74-,75-,76-,77-,78-,79-,80-/m1/s1
SMILES Code
[O]C1=C(C2=C3C([O])=CC4=C2C(C(N(CC5=CN(CCCN6C[C@H](O)[C@@H](O)[C@H](O)[C@H]6CO)N=N5)C4=O)=O)=C1)C7=C(OC8=CC=C(OCC9=CN(CCCN%10C[C@H](O)[C@@H](O)[C@H](O)[C@H]%10CO)N=N9)C=C8)C=C%11C%12=C(C(N(CC%13=CN(CCCN%14C[C@H](O)[C@@H](O)[C@H](O)[C@H]%14CO)N=N%13)C%11=O)=O)C=C(OC%15=CC=C(OCC%16=CN(CCCN%17C[C@H](O)[C@@H](O)[C@H](O)[C@H]%17CO)N=N%16)C=C%15)C3=C7%12
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001