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FAPI-74

CAT: 0931-T78667Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T78667Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2374782-76-8
Target
Others, Immunology/Inflammation related
Related Pathways
Others, Immunology/Inflammation
Bioactivity
FAPI-74 is a PET (positron emission tomography) tracer involved in early FAPI-PET imaging.FAPI-74 can be used to study cancerous tumors and degenerative diseases.
Smiles
C(NCC(=O)N1[C@H](C#N)CCC1)(=O)C=2C3=C(C=CC(OCCCN4CCN(C(CN5CCN(CC(O)=O)CCN(CC(O)=O)CC5)=O)CC4)=C3)N=CC2
Molecular Formula
C36H49N9O8
Molecular Weight
735.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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