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FAPI-74

CAT: 0804-HY-147173-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-147173-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FAPI-74 is a PET (positron emission tomography) tracer targeting the fibroblast activation protein (FAP) . FAPI-74 can be used for FAP-positive tumor research[1][2].
CAS Number
2374782-76-8
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-74.html
Purity
99.84
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=NC(C=C2)=C1C=C2OCCCN(CC3)CCN3C(CN(CCN4CC(O)=O)CCN(CC4)CC(O)=O)=O)NCC(N(CCC5)[C@@H]5C#N)=O
Molecular Formula
C36H49N9O8
Molecular Weight
735.83
References & Citations
[1]Uwe Haberkorn, et al. Fap inhibitor. Patent, WO2019154886A1.|[2]Giesel FL, et al. FAPI-74 PET/CT Using Either 18F-AlF or Cold-Kit 68Ga Labeling: Biodistribution, Radiation Dosimetry, and Tumor Delineation in Lung Cancer Patients. J Nucl Med. 2021 Feb;62 (2) :201-207. |[3]Liu Y, et al. Fibroblast activation protein targeted therapy using [177Lu]FAPI-46 compared with [225Ac]FAPI-46 in a pancreatic cancer model. Eur J Nucl Med Mol Imaging. 2022 Feb;49 (3) :871-880.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(S)-2,2'-(7-(2-(4-(3-((4-((2-(2-Cyanopyrrolidin-1-yl)-2-oxoethyl)carbamoyl)quinolin-6-yl)oxy)propyl)piperazin-1-yl)-2-oxoethyl)-1,4,7-triazonane-1,4-diyl)diacetic acid
CAS Number2374782-76-8
PubChem CID139400631
IUPAC Name2-[4-(carboxymethyl)-7-[2-[4-[3-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetic acid
Molecular FormulaC36H49N9O8
Molecular Weight735.8
XLogP-4.5
Topological Polar Surface Area203
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Heavy Atom Count53
Formal Charge0
Complexity1290
SMILES
C1C[C@H](N(C1)C(=O)CNC(=O)C2=C3C=C(C=CC3=NC=C2)OCCCN4CCN(CC4)C(=O)CN5CCN(CCN(CC5)CC(=O)O)CC(=O)O)C#N
InChI
InChI=1S/C36H49N9O8/c37-22-27-3-1-9-45(27)32(46)23-39-36(52)29-6-7-38-31-5-4-28(21-30(29)31)53-20-2-8-40-16-18-44(19-17-40)33(47)24-41-10-12-42(25-34(48)49)14-15-43(13-11-41)26-35(50)51/h4-7,21,27H,1-3,8-20,23-26H2,(H,39,52)(H,48,49)(H,50,51)/t27-/m0/s1
InChIKey
ZPDBPTLREULTFT-MHZLTWQESA-N
Chemical Structure
2D Structure
2D structure of (S)-2,2'-(7-(2-(4-(3-((4-((2-(2-Cyanopyrrolidin-1-yl)-2-oxoethyl)carbamoyl)quinolin-6-yl)oxy)propyl)piperazin-1-yl)-2-oxoethyl)-1,4,7-triazonane-1,4-diyl)diacetic acid
CAS: 2374782-76-8
CID: 139400631
Formula: C36H49N9O8
MW: 735.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight735.8
XLogP3-4.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Exact Mass735.37040956
Monoisotopic Mass735.37040956
Topological Polar Surface Area203 Ų
Heavy Atom Count53
Formal Charge0
Complexity1290
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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