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SP-13786

CAT: 0957-S0842-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S0842-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SP-13786 (UAMC-1110) (compound 60) is a potent and selective inhibitor of fibroblast activation protein (FAP) and prolyl oligopeptidase (PREP) with IC50 of 3.2 nM and 1.8 μM, respectively.
CAS Number
1448440-52-5
Synonyms
UAMC-1110
Target
PREP
Activity
Metabolism
Molecular Formula
C17H14F2N4O2
Storage Conditions
3 years -20°C powder

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
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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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