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FAPI-46-NOTA

CAT: 0013-GTR19236720Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236720Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NOTA-FAPI-46 is an analogue of FAPI-46 (MedKoo Cat#207189) . NOTA-FAPI-46 is useful in the diagnosis or treatment of a disease characterized by overexpression of fibroblast activation protein (FAP) . NOTA-FAPI-46 can be used as a PET tracer for detection of diseases or disorders related to fibroblast activation protein.
CAS Number
2374782-69-9
Purity
>98%
Molecular Formula
C37H50F2N10O7
Molecular Weight
784.85
Notes
For research use only.

Chemical Information

Fapi-46-nota
CAS Number2374782-69-9
PubChem CID139400513
IUPAC Name2-[4-(carboxymethyl)-7-[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-triazonan-1-yl]acetic acid
Molecular FormulaC37H50F2N10O7
Molecular Weight784.9
XLogP-4
Topological Polar Surface Area197
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Heavy Atom Count56
Formal Charge0
Complexity1410
SMILES
CN(CCCN1CCN(CC1)C(=O)CN2CCN(CCN(CC2)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/C37H50F2N10O7/c1-43(27-3-4-31-30(19-27)29(5-6-41-31)36(56)42-22-32(50)49-26-37(38,39)20-28(49)21-40)7-2-8-44-15-17-48(18-16-44)33(51)23-45-9-11-46(24-34(52)53)13-14-47(12-10-45)25-35(54)55/h3-6,19,28H,2,7-18,20,22-26H2,1H3,(H,42,56)(H,52,53)(H,54,55)/t28-/m0/s1
InChIKey
APILFOLSMKOIDY-NDEPHWFRSA-N
Chemical Structure
2D Structure
2D structure of Fapi-46-nota
CAS: 2374782-69-9
CID: 139400513
Formula: C37H50F2N10O7
MW: 784.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight784.9
XLogP3-4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Exact Mass784.38320030
Monoisotopic Mass784.38320030
Topological Polar Surface Area197 Ų
Heavy Atom Count56
Formal Charge0
Complexity1410
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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