Synonym
Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Br
IUPAC/Chemical Name
2-((2S,6aS,6bR,7S,8aS,8bS,10R,11aR,12aS,12bS)-10-(4-(3-((S)-2-((S)-2-(2-bromoacetamido)propanamido)propanamido)benzyl)phenyl)-2,6b-difluoro-7-hydroxy-6a,8a-dimethyl-4-oxo-1,2,4,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl)-2-oxoethyl dihydrogen phosphate
InChi Key
LTEKXXMNHUVHKP-XXDIGLPESA-N
InChi Code
InChI=1S/C43H49BrF2N3O12P/c1-22(47-36(53)20-44)37(54)48-23(2)38(55)49-27-7-5-6-25(15-27)14-24-8-10-26(11-9-24)39-60-35-18-29-30-17-32(45)31-16-28(50)12-13-40(31,3)42(30,46)33(51)19-41(29,4)43(35,61-39)34(52)21-59-62(56,57)58/h5-13,15-16,22-23,29-30,32-33,35,39,51H,14,17-21H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H2,56,57,58)/t22-,23-,29-,30-,32-,33-,35+,39+,40-,41-,42-,43+/m0/s1
SMILES Code
O=P(O)(O)OCC([C@]12[C@@]3([C@@]([C@@]4([H])[C@]([C@H](C3)O)([C@@]5(C([C@H](C4)F)=CC(C=C5)=O)C)F)([H])C[C@@]1([H])O[C@@H](C6=CC=C(C=C6)CC7=CC(NC([C@H](C)NC([C@H](C)NC(CBr)=O)=O)=O)=CC=C7)O2)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
