Synonym
Plipastatin B 1; Plipastatin A 1, 6-D-valine-;
IUPAC/Chemical Name
(R)-5-(((R)-5-amino-1-(((12S,4R,7R,10R,15S,18R,21R,24S)-4-(3-amino-3-oxopropyl)-10-((S)-sec-butyl)-21-(2-carboxyethyl)-7-(4-hydroxybenzyl)-18-((R)-1-hydroxyethyl)-24-isopropyl-2,5,8,11,16,19,22,25-octaoxo-12-oxa-3,6,9,17,20,23-hexaaza-1(2,1)-pyrrolidina-13(1,4)-benzenacyclopentacosaphane-15-yl)amino)-1-oxopentan-2-yl)amino)-4-((S)-3-hydroxyhexadecanamido)-5-oxopentanoic acid
InChi Key
BBRYHXPVDSFBGT-XVGDWIIJSA-N
InChi Code
InChI=1S/C74H114N12O20/c1-7-9-10-11-12-13-14-15-16-17-18-21-49(89)42-59(91)77-52(33-36-60(92)93)66(97)78-51(22-19-38-75)65(96)81-56-41-47-26-30-50(31-27-47)106-74(105)63(44(5)8-2)84-69(100)55(40-46-24-28-48(88)29-25-46)82-67(98)53(32-35-58(76)90)79-71(102)57-23-20-39-86(57)73(104)62(43(3)4)83-68(99)54(34-37-61(94)95)80-72(103)64(45(6)87)85-70(56)101/h24-31,43-45,49,51-57,62-64,87-89H,7-23,32-42,75H2,1-6H3,(H2,76,90)(H,77,91)(H,78,97)(H,79,102)(H,80,103)(H,81,96)(H,82,98)(H,83,99)(H,84,100)(H,85,101)(H,92,93)(H,94,95)/t44-,45+,49-,51+,52+,53+,54+,55+,56-,57-,62-,63+,64+/m0/s1
SMILES Code
O=C(C[C@H](CCCCCCCCCCCCC)O)N[C@@H](C(N[C@H](CCCN)C(N[C@@H]1C(N[C@H]([C@H](O)C)C(N[C@H](CCC(O)=O)C(N[C@H](C(N2[C@H](C(N[C@H](CCC(N)=O)C(N[C@H](Cc3ccc(O)cc3)C(N[C@H]([C@H](CC)C)C(Oc4ccc(C1)cc4)=O)=O)=O)=O)CCC2)=O)C(C)C)=O)=O)=O)=O)=O)CCC(O)=O
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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
