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FAPI-46

CAT: 0013-GTR19236704Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236704Size:5 mg
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Description
FAPI-46 is a highly promising FAP-targeted radiotracer with superior tumor uptake and prolonged accumulation, making it an excellent tool for imaging a wide range of cancers. Its versatility, combined with its potential for theragnostic applications, positions FAPI-46 as a valuable asset in the field of oncology, enabling improved diagnosis, staging, and treatment monitoring for patients with FAP-expressing tumors.
CAS Number
2374782-04-2
Purity
>98%
Smiles
FC1 (C ([H]) ([H]) N (C (C ([H]) ([H]) N ([H]) C (C2C ([H]) =C ([H]) N=C3C ([H]) =C ([H]) C (=C ([H]) C=23) N (C ([H]) ([H]) [H]) C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) N2C ([H]) ([H]) C ([H]) ([H]) N (C (C ([H]) ([H]) N3C ([H]) ([H]) C ([H]) ([H]) N (C ([H]) ([H]) C (=O) O[H]) C ([H]) ([H]) C ([H]) ([H]) N (C ([H]) ([H]) C (=O) O[H]) C ([H]) ([H]) C ([H]) ([H]) N (C ([H]) ([H]) C (=O) O[H]) C ([H]) ([H]) C3 ([H]) [H]) =O) C ([H]) ([H]) C2 ([H]) [H]) =O) =O) [C@] ([H]) (C#N) C1 ([H]) [H]) F
Molecular Formula
C41H57F2N11O9
Molecular Weight
885.9564
Notes
For research use only.

Chemical Information

FAPi-46

a quinoline-based fibroblast activation protein (FAP)-targeted tracer belonging to the group of FAP inhibitors (FAPi)

CAS Number2374782-04-2
PubChem CID139400499
IUPAC Name2-[4,7-bis(carboxymethyl)-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]acetic acid
Molecular FormulaC41H57F2N11O9
Molecular Weight886.0
XLogP-6.7
Topological Polar Surface Area238
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count19
Rotatable Bond Count16
Heavy Atom Count63
Formal Charge0
Complexity1620
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
InChI
InChI=1S/C41H57F2N11O9/c1-47(30-3-4-34-33(21-30)32(5-6-45-34)40(63)46-24-35(55)54-29-41(42,43)22-31(54)23-44)7-2-8-48-17-19-53(20-18-48)36(56)25-49-9-11-50(26-37(57)58)13-15-52(28-39(61)62)16-14-51(12-10-49)27-38(59)60/h3-6,21,31H,2,7-20,22,24-29H2,1H3,(H,46,63)(H,57,58)(H,59,60)(H,61,62)/t31-/m0/s1
InChIKey
SDBGUEFOSXNKBX-HKBQPEDESA-N
Chemical Structure
2D Structure
2D structure of FAPi-46
CAS: 2374782-04-2
CID: 139400499
Formula: C41H57F2N11O9
MW: 886.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight886.0
XLogP3-6.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count19
Rotatable Bond Count16
Exact Mass885.43087876
Monoisotopic Mass885.43087876
Topological Polar Surface Area238 Ų
Heavy Atom Count63
Formal Charge0
Complexity1620
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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