Synonym
PROTAC-I; PROTAC I
IUPAC/Chemical Name
(2S,4R)-1-((S)-2-(tert-Butyl)-19-((7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-7-yl)-4-oxo-6,9,12,15-tetraoxa-3-azanonadecanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
InChi Key
AMIXLHOERNJPME-NFKZCJKKSA-N
InChi Code
InChI=1S/C52H74N4O10S/c1-33-47(67-32-54-33)35-11-9-34(10-12-35)29-53-49(61)43-28-39(58)30-56(43)50(62)48(51(2,3)4)55-45(60)31-66-25-24-65-23-22-64-21-20-63-19-7-6-8-36-26-37-27-38(57)13-14-40(37)41-17-18-52(5)42(46(36)41)15-16-44(52)59/h9-14,27,32,36,39,41-44,46,48,57-59H,6-8,15-26,28-31H2,1-5H3,(H,53,61)(H,55,60)/t36-,39-,41-,42+,43+,44+,46-,48-,52+/m1/s1
SMILES Code
O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCCOCCCC[C@@H]2CC3=CC(O)=CC=C3[C@@]4([H])CC[C@]5(C)[C@@H](O)CC[C@@]5([H])[C@]24[H])=O)=O)C[C@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6
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
