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NOTA-FAPI

CAT: 0804-HY-136641-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-136641-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NOTA-FAPI is a fibroblast activation protein (FAP) inhibitor. NOTA-FAPI can be used as a probe for FAP-targeted tumour imaging. NOTA-FAPI has good tumour detection efficacy and excellent imaging quality[1][2][3].
CAS Number
2374782-03-1
UNSPSC
12352005
Target
FAP; Radionuclide-Drug Conjugates (RDCs)
Type
Reference compound
Related Pathways
Antibody-drug Conjugate/ADC Related; Immunology/Inflammation
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nota-fapi.html
Purity
99.66
Solubility
DMSO : 100 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(CC5(F)F)[C@@H](C5)C#N)=O
Molecular Formula
C36H47F2N9O8
Molecular Weight
771.81
References & Citations
[1]Wang S, et al. Clinical translational evaluation of Al18F-NOTA-FAPI for fibroblast activation protein-targeted tumour imaging. Eur J Nucl Med Mol Imaging. 2021 Dec;48 (13) :4259-4271. |[2]Guo YH, et al. Comparison of 18F-AlF-NOTA-FAPI and 18F-FDG Imaging in a Patient With Gastric Signet-Ring Cell Carcinoma. Clin Nucl Med. 2021 Nov 1;46 (11) :929-930.|[3]Ge L, et al. Preclinical evaluation and pilot clinical study of [18F]AlF-NOTA-FAPI-04 for PET imaging of rheumatoid arthritis. Eur J Nucl Med Mol Imaging. 2022 Oct;49 (12) :4025-4036.|[4]Guo YH, et al. Comparison of 18F-AlF-NOTA-FAPI and 18F-FDG Imaging in a Patient With Gastric Signet-Ring Cell Carcinoma. Clin Nucl Med. 2021 Nov 1;46 (11) :929-930.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
RDC Bifunctional Chelator

Chemical Information

Ntfapi
CAS Number2374782-03-1
PubChem CID139400498
IUPAC Name2-[4-(carboxymethyl)-7-[2-[4-[3-[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetic acid
Molecular FormulaC36H47F2N9O8
Molecular Weight771.8
XLogP-4.2
Topological Polar Surface Area203
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Heavy Atom Count55
Formal Charge0
Complexity1380
SMILES
C1CN(CCN1CCCOC2=CC3=C(C=CN=C3C=C2)C(=O)NCC(=O)N4CC(C[C@H]4C#N)(F)F)C(=O)CN5CCN(CCN(CC5)CC(=O)O)CC(=O)O
InChI
InChI=1S/C36H47F2N9O8/c37-36(38)19-26(20-39)47(25-36)31(48)21-41-35(54)28-4-5-40-30-3-2-27(18-29(28)30)55-17-1-6-42-13-15-46(16-14-42)32(49)22-43-7-9-44(23-33(50)51)11-12-45(10-8-43)24-34(52)53/h2-5,18,26H,1,6-17,19,21-25H2,(H,41,54)(H,50,51)(H,52,53)/t26-/m0/s1
InChIKey
XQARGGQZFNOLDH-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of Ntfapi
CAS: 2374782-03-1
CID: 139400498
Formula: C36H47F2N9O8
MW: 771.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight771.8
XLogP3-4.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Exact Mass771.35156582
Monoisotopic Mass771.35156582
Topological Polar Surface Area203 Ų
Heavy Atom Count55
Formal Charge0
Complexity1380
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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