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UAMC-1110 (Standard)

CAT: 0804-HY-100684RSize: 1 EachDry Ice: NoHazardous: No
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Description
UAMC-1110 (Standard) is the analytical standard of UAMC-1110. This product is intended for research and analytical applications. UAMC-1110 is a highly potent and selective inhibitor of fibroblast activation protein (FAP) with an IC50 of 3.2 nM. UAMC-1110 also inhibits prolyl oligopeptidase (PREP) with an IC50 of 1.8 μM[1].
CAS Number
1448440-52-5
Target
FAP; Prolyl Endopeptidase (PREP) ; Reference Standards
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; Others
Field of Research
Cancer
Smiles
O=C(C1=CC=NC2=CC=CC=C12)NCC(N3[C@H](C#N)CC(F)(F)C3)=O
Molecular Formula
C17H14F2N4O2
Molecular Weight
344.32
References & Citations
[1]Jansen K, et al. Extended structure-activity relationship and pharmacokinetic investigation of (4-quinolinoyl) glycyl-2-cyanopyrrolidine inhibitors of fibroblast activation protein (FAP) . J Med Chem. 2014 Apr 10;57 (7) :3053-74.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

N-(2-((2S)-2-Cyano-4,4-difluoro-1-pyrrolidinyl)-2-oxoethyl)-4-quinolinecarboxamide
CAS Number1448440-52-5
PubChem CID71621488
IUPAC NameN-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
Molecular FormulaC17H14F2N4O2
Molecular Weight344.31
XLogP1.6
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity588
SMILES
C1[C@H](N(CC1(F)F)C(=O)CNC(=O)C2=CC=NC3=CC=CC=C23)C#N
InChI
InChI=1S/C17H14F2N4O2/c18-17(19)7-11(8-20)23(10-17)15(24)9-22-16(25)13-5-6-21-14-4-2-1-3-12(13)14/h1-6,11H,7,9-10H2,(H,22,25)/t11-/m0/s1
InChIKey
PUOOCZVRHBHJRS-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of N-(2-((2S)-2-Cyano-4,4-difluoro-1-pyrrolidinyl)-2-oxoethyl)-4-quinolinecarboxamide
CAS: 1448440-52-5
CID: 71621488
Formula: C17H14F2N4O2
MW: 344.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.31
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass344.10848203
Monoisotopic Mass344.10848203
Topological Polar Surface Area86.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity588
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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