Inhibitor Report for: FAPI-04
| FAPI-04 | Type | Piperazine |
|---|
| | Quinoline |
| | PET probe |
| | Carboxamide |
| Other_Name (6) |
| Chemical_Nomenclature | DOTA (S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)-6-(3-(4-tertbutoxycarbonyl-piperazin-1-yl)-1-propoxy)quinoline-4-carboxamide |
| | 2-[4,7-bis(carboxymethyl)-10-[2-[4-[3-[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| Formula | C40H54F2N10O10 |
| MW | 872.91 |
|  |
| Paper | Loktev_2018_J.Nucl.Med_59_1423 |
| | Lindner_2018_J.Nucl.Med_59_1415 |
| | Varasteh_2019_J.Nucl.Med_60_1743 |
| Comment | Theranostic ligand for FAP. DOTA (Tetraxetan 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]) chelating agent for metallic ions (177Lu and 68Ga for example) used in PET imaging. Gallium Ga 68-DOTA-FAPI-04 is a radioconjugate composed of FAPI-04, a quinoline-based fibroblast activation protein (FAP)-targeted tracer belonging to the group of FAP inhibitors (FAPi), conjugated, through the macrocyclic chelator 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA), to the radioisotope gallium Ga 68 |
| Gene_locus | human-FAP |
| CID | 155907829 |
| | 138454803 |
| Family | DPP4N_Peptidase_S9 |
| InChIKey | ICWDAESAANBIGG-UHFFFAOYSA-N |
| | ICWDAESAANBIGG-LJAQVGFWSA-N |
| CanonicalSMILES | C1CN(CCN1CCCOC3=CC2=C(C=CN=C2C=C3)C(=O)NCC(=O)N4CC(CC4C#N)(F)F)C(=O)CN5CCN(CCN(CCN(CC5)CC(=O)O)CC(=O)O)CC(=O)O |
| | C1CN(CCN1CCCOC2=CC3=C(C=CN=C3C=C2)C(=O)NCC(=O)N4CC(CC4C#N)(F)F)C(=O)CN5CCN(CCN(CCN(CC5)CC(=O)O)CC(=O)O)CC(=O)O |
| InChI | InChI=1S/C40H54F2N10O10/c41-40(42)21-29(22-43)52(28-40)34(53)23-45-39(61)31-4-5-44-33-3-2-30(20-32(31)33)62-19-1-6-46-15-17-51(18-16-46)35(54)24-47-7-9-48(25-36(55)56)11-13-50(27-38(59)60)14-12-49(10-8-47)26-37(57)58/h2-5,20,29H,1,6-19,21,23-28H2,(H,45,61)(H,55,56)(H,57,58)(H,59,60) |
| | InChI=1S/C40H54F2N10O10/c41-40(42)21-29(22-43)52(28-40)34(53)23-45-39(61)31-4-5-44-33-3-2-30(20-32(31)33)62-19-1-6-46-15-17-51(18-16-46)35(54)24-47-7-9-48(25-36(55)56)11-13-50(27-38(59)60)14-12-49(10-8-47)26-37(57)58/h2-5,20,29H,1,6-19,21,23-28H2,(H,45,61)(H,55,56)(H,57,58)(H,59,60)/t29-/m0/s1 |
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