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FAPI-2

CAT: 0804-HY-128642-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-128642-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FAPI-2 is a quinoline-based fibroblast activation protein (FAP) -targeting ligand that can be labeled as 68Ga-FAPI-2 and used as a PET tracer for cancer diagnosis. FAPI-2 has advantages such as fast tracer kinetics, no need for fasting preparation, and being unaffected by blood glucose[1][2][3][4].
CAS Number
2370952-98-8
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-2.html
Purity
98.94
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(NCC(N1CCC[C@]1(C#N)[H])=O)C2=CC=NC3=CC=C(OCCCN4CCN(C(CN5CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC5)=O)CC4)C=C32
Molecular Formula
C40H56N10O10
Molecular Weight
836.93
References & Citations
[1]Giesel FL, et al. 68Ga-FAPI PET/CT: Biodistribution and Preliminary Dosimetry Estimate of 2 DOTA-Containing FAP-Targeting Agents in Patients with Various Cancers. J Nucl Med. 2019 Mar;60 (3) :386-392.|[2]Moon ES, et al. Fibroblast Activation Protein (FAP) targeting homodimeric FAP inhibitor radiotheranostics: a step to improve tumor uptake and retention time. Am J Nucl Med Mol Imaging. 2021 Dec 15;11 (6) :476-491.|[3]Li M, et al. Clinical summary of fibroblast activation protein inhibitor-based radiopharmaceuticals: cancer and beyond. Eur J Nucl Med Mol Imaging. 2022 Jul;49 (8) :2844-2868. doi: 10.1007/s00259-022-05706-y. Epub 2022 Jan 31. Erratum in: Eur J Nucl Med Mol Imaging. 2022 Jul;49 (8) :3007.|[4]Sanjana Ballal, et al. First-in-Human Experience With 177Lu-DOTAGA. (SA.FAPi) 2 Therapy in an Uncommon Case of Aggressive Medullary Thyroid Carcinoma Clinically Mimicking as Anaplastic Thyroid Cancer. Clin Nucl Med. 2022 Jun 1;47 (6) :e444-e445.
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

Unii-54MD7EU3MC
CAS Number2370952-98-8
PubChem CID138454802
IUPAC Name2-[4,7-bis(carboxymethyl)-10-[2-[4-[3-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular FormulaC40H56N10O10
Molecular Weight836.9
XLogP-7.2
Topological Polar Surface Area244
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count16
Heavy Atom Count60
Formal Charge0
Complexity1490
SMILES
C1C[C@H](N(C1)C(=O)CNC(=O)C2=C3C=C(C=CC3=NC=C2)OCCCN4CCN(CC4)C(=O)CN5CCN(CCN(CCN(CC5)CC(=O)O)CC(=O)O)CC(=O)O)C#N
InChI
InChI=1S/C40H56N10O10/c41-24-30-3-1-9-50(30)35(51)25-43-40(59)32-6-7-42-34-5-4-31(23-33(32)34)60-22-2-8-44-18-20-49(21-19-44)36(52)26-45-10-12-46(27-37(53)54)14-16-48(29-39(57)58)17-15-47(13-11-45)28-38(55)56/h4-7,23,30H,1-3,8-22,25-29H2,(H,43,59)(H,53,54)(H,55,56)(H,57,58)/t30-/m0/s1
InChIKey
CRWOFMLXEOYIEP-PMERELPUSA-N
Chemical Structure
2D Structure
2D structure of Unii-54MD7EU3MC
CAS: 2370952-98-8
CID: 138454802
Formula: C40H56N10O10
MW: 836.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight836.9
XLogP3-7.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count16
Exact Mass836.41808802
Monoisotopic Mass836.41808802
Topological Polar Surface Area244 Ų
Heavy Atom Count60
Formal Charge0
Complexity1490
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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