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NOTA-FAPI

CAT: 0013-GTR19210355-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210355-01Size:1 mg
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Description
NOTA-FAPI-4 is a fibroblast activation protein (FAP) inhibitor used as a PET imaging agent. It enables non-invasive visualization and quantification of FAP-expressing cells in vivo, supporting research in oncology, fibrosis, and inflammation for both diagnostic imaging and therapy monitoring in preclinical models.
CAS Number
2374782-03-1
Product Name Alternative
NTFAPI, NOTA-FAPI-04
Field of Research
Immunology & Inflammation
Purity
99.74% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:3.3 mg/mL (4.28 mM) ; DMSO:80 mg/mL (103.65 mM)
Smiles
C (NCC (=O) N1[C@H] (C#N) CC (F) (F) C1) (=O) C=2C3=C (C=CC (OCCCN4CCN (C (CN5CCN (CC (O) =O) CCN (CC (O) =O) CC5) =O) CC4) =C3) N=CC2
Molecular Formula
C36H47F2N9O8
Molecular Weight
771.81
Storage Conditions
-20°C
Notes
For research use only.

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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