Synonym
SPA-S 752; SPA-S-752;
IUPAC/Chemical Name
(1R,3S,5S,7R,9R,13R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-(((2R,3S,4S,5S,6R)-4-(2-(dimethylamino)acetamido)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-N-(2-(dimethylamino)ethyl)-1,3,5,7,9,13,37-heptahydroxy-17-((2S)-5-hydroxy-7-(4-(methylamino)phenyl)-7-oxoheptan-2-yl)-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide
InChi Key
UJGVOBAKMNJQEV-LYLBHANESA-N
InChi Code
InChI=1S/C67H103N5O19/c1-42-21-19-17-15-13-11-9-10-12-14-16-18-20-22-54(89-66-63(85)61(62(84)44(3)88-66)70-58(82)41-72(7)8)38-57-60(65(86)69-29-30-71(5)6)56(81)40-67(87,91-57)39-53(79)35-51(77)33-49(75)31-48(74)32-50(76)34-52(78)37-59(83)90-64(42)43(2)23-28-47(73)36-55(80)45-24-26-46(68-4)27-25-45/h9-22,24-27,42-44,47-49,51-54,56-57,60-64,66,68,73-75,77-79,81,84-85,87H,23,28-41H2,1-8H3,(H,69,86)(H,70,82)/b10-9+,13-11+,14-12+,17-15+,18-16+,21-19+,22-20+/t42-,43-,44+,47?,48+,49-,51-,52+,53-,54-,56-,57-,60+,61-,62+,63-,64-,66-,67+/m0/s1
SMILES Code
CNc1ccc(C(CC(CC[C@@H]([C@H]2OC(C[C@@H](CC(C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@]3(C[C@@H]([C@@H](C(NCCN(C)C)=O)[C@@H](O3)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]2C)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@@H]4O)NC(CN(C)C)=O)O)C)O)O)O)O)O)O)=O)O)=O)C)O)=O)cc1
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
2934.99.9001
