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FAPI-46

CAT: 0804-HY-137331-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-137331-02Size:5 mg
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Description
FAPI-46 is a quinoline-based fibroblast activation protein (FAP) -targeted tracer. Use radioactivity FAPI-46 labeled with 68Ga or 177Lu can be used for tumor imaging in a variety of cancers and has higher tumor uptake rates and longer tumor accumulation[1][2].
CAS Number
2374782-04-2
UNSPSC
12352005
Target
FAP
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/fapi-46.html
Concentration
10mM
Purity
99.02
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=NC(C=C2)=C1C=C2N(C)CCCN(CC3)CCN3C(CN(CCN(CC4)CC(O)=O)CCN(CCN4CC(O)=O)CC(O)=O)=O)NCC(N(CC5(F)F)[C@@H](C5)C#N)=O
Molecular Formula
C41H57F2N11O9
Molecular Weight
885.96
References & Citations
[1]Loktev A, et, al. Development of Fibroblast Activation Protein-Targeted Radiotracers with Improved Tumor Retention. J Nucl Med. 2019 Oct;60 (10) :1421-1429.|[2]Moon ES, et, al. Targeting fibroblast activation protein (FAP) : next generation PET radiotracers using squaramide coupled bifunctional DOTA and DATA 5m chelators. EJNMMI Radiopharm Chem. 2020 Jul 29;5 (1) :19.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Phase 2

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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