FAPi-46 GA-68
2-[4,7-bis(carboxylatomethyl)-10-[2-[4-[3-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]-methylamino]propyl]piperazin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gallium-68(3+)
Molecular Identity
FAPi-46 GA-68
2-[4,7-bis(carboxylatomethyl)-10-[2-[4-[3-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]-methylamino]propyl]piperazin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gallium-68(3+)
PubChem CID: 164888937
2D Structure
Properties
C41H54F2GaN11O9
Molecular Formula
950.90
Molecular Weight
g/mol
950.3354
Exact Mass
Da
246
TPSA
May have limited oral absorption
1
H-Bond Donors
19
H-Bond Acceptors
1600
Complexity
SMILES
Canonical SMILES
SMILES: CN(CCCN1CCN(CC1)C(=O)CN2CCN(CCN(CCN(CC2)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C3=CC4=C(C=CN=C4C=C3)C(=O)NCC(=O)N5CC(CC5C#N)(F)F.[Ga+3]Isomeric SMILES
SMILES: CN(CCCN1CCN(CC1)C(=O)CN2CCN(CCN(CCN(CC2)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C3=CC4=C(C=CN=C4C=C3)C(=O)NCC(=O)N5CC(C[C@H]5C#N)(F)F.[68Ga+3]Synonyms(10)
Gallium-68-fapi-467X34CP0VELGallium Ga 68 FAPI-46FAPI-46 Ga-68(68Ga)Ga-Fapi-462374784-98-0[68Ga]Ga-FAPI-46RefChem:1085296UNII-7X34CP0VELGallium-68Ga, [10-[2-[4-[3-[[4-[[[2-[(2S)-2-cyano-4,4-difluoro-1-pyrrolidinyl]-2-oxoethyl]amino]carbonyl]-6-quinolinyl]methylamino]propyl]-1-piperazinyl]-2-oxoethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-kappaN1,kappaN4,kappaN7,kappaN10]-, (T-4)-
Data from PubChem (NCBI)
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