Synonym
Elunonavir; GS-1156; GS1156; GS 1156
IUPAC/Chemical Name
dimethyl (3S,8S,9S,12S)-6-({4-[1-(difluoromethyl)-1H-pyrazol-3-yl]-2,6 difluorophenyl}methyl)-8-hydroxy-9-{[4-({2-[8-(oxetan-3-yl)-3,8 diazabicyclo[3.2.1]octan-3-yl]pyrimidin-5-yl}ethynyl)phenyl]methyl}-4,11-dioxo-3,12-bis(1,1,1-trifluoro-2-methylpropan-2-yl)-2,5,6,10,13-pentaazatetradecane-1,14-dioate
InChi Key
ZTSLYWLHCOINNI-FTEFBJIISA-N
InChi Code
InChI=1S/C52H59F10N11O8/c1-49(2,51(57,58)59)41(66-47(77)79-5)43(75)65-39(17-29-10-7-28(8-11-29)9-12-30-20-63-46(64-21-30)70-22-32-13-14-33(23-70)73(32)34-26-81-27-34)40(74)25-71(69-44(76)42(67-48(78)80-6)50(3,4)52(60,61)62)24-35-36(53)18-31(19-37(35)54)38-15-16-72(68-38)45(55)56/h7-8,10-11,15-16,18-21,32-34,39-42,45,74H,13-14,17,22-27H2,1-6H3,(H,65,75)(H,66,77)(H,67,78)(H,69,76)/t32?,33?,39-,40-,41+,42+/m0/s1
SMILES Code
O=C(OC)N[C@@H](C(C)(C)C(F)(F)F)C(NN(CC1=C(F)C=C(C2=NN(C(F)F)C=C2)C=C1F)C[C@H](O)[C@H](CC3=CC=C(C#CC4=CN=C(N5CC(N6C7COC7)CCC6C5)N=C4)C=C3)NC([C@H](C(C)(C)C(F)(F)F)NC(OC)=O)=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
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
