Synonym
FAPI-YQ3; FAPI YQ3; FAPIYQ3
IUPAC/Chemical Name
N1,N5-bis(14-(4-(3-(4-(3-((2-((S)-2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)carbamoyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-yl)-3-oxopropyl)-1H-1,2,3-triazol-1-yl)-3,6,9,12-tetraoxatetradecyl)-3-(6-(2-((E)-4-(dimethylamino)benzylidene)hydrazineyl)nicotinamido)pentanediamide
InChi Key
WNIXWLGRZFWIBQ-JCSVMIFRSA-N
InChi Code
InChI=1S/C96H121F6N25O19/c1-5-118-61-75(93(137)108-57-88(132)126-63-95(99,100)51-71(126)53-103)90(134)73-47-77(97)81(49-79(73)118)120-19-23-122(24-20-120)86(130)15-10-67-59-124(115-112-67)27-31-141-35-39-145-43-41-143-37-33-139-29-17-105-84(128)45-69(111-92(136)66-9-14-83(107-56-66)114-110-55-65-7-12-70(13-8-65)117(3)4)46-85(129)106-18-30-140-34-38-144-42-44-146-40-36-142-32-28-125-60-68(113-116-125)11-16-87(131)123-25-21-121(22-26-123)82-50-80-74(48-78(82)98)91(135)76(62-119(80)6-2)94(138)109-58-89(133)127-64-96(101,102)52-72(127)54-104/h7-9,12-14,47-50,55-56,59-62,69,71-72H,5-6,10-11,15-46,51-52,57-58,63-64H2,1-4H3,(H,105,128)(H,106,129)(H,107,114)(H,108,137)(H,109,138)(H,111,136)/b110-55+/t71-,72-/m0/s1
SMILES Code
O=C(NCCOCCOCCOCCOCCN1N=NC(CCC(N(CC2)CCN2C3=C(F)C=C4C(N(C=C(C(NCC(N5CC(F)(F)C[C@H]5C#N)=O)=O)C4=O)CC)=C3)=O)=C1)CC(NC(C(C=C6)=CN=C6N/N=C/C7=CC=C(N(C)C)C=C7)=O)CC(NCCOCCOCCOCCOCCN8N=NC(CCC(N9CCN(C%10=C(C=C%11C(C(C(NCC(N%12[C@@H](CC(F)(C%12)F)C#N)=O)=O)=CN(CC)C%11=C%10)=O)F)CC9)=O)=C8)=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