Synonym
CDDO Borate Prodrug 4
IUPAC/Chemical Name
4-((4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)benzoyl)oxy)butyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-hexadecahydropicene-4a(2H)-carboxylate
InChi Key
WHTRUXRICNZJMI-XZZDVJPLSA-N
InChi Code
InChI=1S/C55H70BNO9/c1-48(2)24-26-55(27-25-54(11)44(40(55)32-48)41(58)30-43-52(9)31-37(33-57)45(59)49(3,4)42(52)22-23-53(43,54)10)47(61)63-29-13-12-28-62-46(60)36-16-20-39(21-17-36)64-34-35-14-18-38(19-15-35)56-65-50(5,6)51(7,8)66-56/h14-21,30-31,40,42,44H,12-13,22-29,32,34H2,1-11H3/t40-,42-,44-,52-,53+,54+,55-/m0/s1
SMILES Code
O=C(C1=CC=C(C=C1)OCC2=CC=C(B3OC(C)(C(C)(O3)C)C)C=C2)OCCCCOC([C@]45[C@](CC(C)(CC5)C)([H])[C@]6([H])[C@@](CC4)([C@]7(C([C@@]8([C@@](C(C)(C(C(C#N)=C8)=O)C)([H])CC7)C)=CC6=O)C)C)=O
Appearance
To be determined
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
