Synonym
RMC-4529; HY-115869; CS-0371231
IUPAC/Chemical Name
N-(4-(4-amino-3-(2-aminobenzo[d]oxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)butyl)-1-(4-(((((3S,5R,6R,7E,9R,10S,11E,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-((R)-1-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)propan-2-yl)-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-1,28,29-trioxo-1,3,4,5,6,9,10,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-11H-23,27-epoxypyrido[2,1-c][1]oxa[4]azacyclohentriacontin-11-ylidene)amino)oxy)methyl)-1H-1,2,3-triazol-1-yl)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amide
InChi Key
PSGYEYPZNOWGNB-DTGDRGTPSA-N
InChi Code
InChI=1S/C90H139N13O23/c1-59-19-13-12-14-20-60(2)74(111-8)54-69-25-22-65(7)90(110,126-69)84(107)87(108)102-30-17-15-21-71(102)88(109)124-76(62(4)51-66-23-26-72(104)77(52-66)113-10)55-75(112-9)61(3)50-64(6)82(106)83(114-11)80(63(5)49-59)99-123-57-68-56-101(100-97-68)32-34-116-36-38-118-40-42-120-44-46-122-48-47-121-45-43-119-41-39-117-37-35-115-33-28-78(105)93-29-16-18-31-103-86-79(85(91)94-58-95-86)81(98-103)67-24-27-73-70(53-67)96-89(92)125-73/h12-14,19-20,24,27,50,53,56,58-59,61-63,65-66,69,71-72,74-77,82-83,104,106,110H,15-18,21-23,25-26,28-49,51-52,54-55,57H2,1-11H3,(H2,92,96)(H,93,105)(H2,91,94,95)/b14-12+,19-13+,60-20+,64-50+,99-80+/t59-,61-,62-,63-,65-,66+,69+,71+,72-,74+,75-,76+,77-,82-,83+,90-/m1/s1
SMILES Code
NC1=C2C(C3=CC=C4OC(N)=NC4=C3)=NN(CCCCNC(CCOCCOCCOCCOCCOCCOCCOCCOCCN5C=C(CO/N=C6[C@H](OC)[C@H](O)/C(C)=C/[C@@H](C)[C@H](OC)C[C@@]([H])([C@@H](C[C@H]7C[C@@H](OC)[C@H](O)CC7)C)OC([C@]8(N(C(C([C@]9(O)O[C@]([H])(C[C@H](OC)/C(C)=C/C=C/C=C/[C@@H](C)C[C@H]/6C)CC[C@H]9C)=O)=O)CCCC8)[H])=O)N=N5)=O)C2=NC=N1
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
