Cas no 851881-60-2 (Adx-47273)

Adx-47273 structure
Adx-47273 structure
Product Name:Adx-47273
CAS No:851881-60-2
MF:C20H17F2N3O2
MW:369.364691495895
MDL:MFCD17167026
CID:826878
PubChem ID:11383075
Update Time:2024-10-26

Adx-47273 Chemical and Physical Properties

Names and Identifiers

    • ADX 47273 *
    • ADX-47273
    • (4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
    • ADX 47273
    • (4-Fluorophenyl)[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]methanone
    • (S)-(4-Fluorophenyl)-{3-[3-(4-fluorophenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
    • ADX47273
    • 4C4P7L0W63
    • (s)-(4-fluorophenyl)-{3-(3-(4-fluorophenyl)-(1,2,4)oxadiazol-5-yl)piperidin-1-yl}methanone
    • (S)-(4-fluorophenyl)(3-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
    • Methanone, (4-fluorophenyl)((3S)-3-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-1-piperidinyl)-
    • Methanone, (4-fluorophenyl)[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-
    • (S)-(4-Fluorophenyl)-{3-[3-(4-fluorophenyl)-
    • (4-Fluorophenyl)[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]methanone (ACI)
    • Piperidine, 1-(4-fluorobenzoyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-, (3S)- (9CI)
    • AKOS027255083
    • BDBM50187649
    • ADX 47273?
    • (S)-(4-Fluoro-phenyl)-{3-[3-(4-fluoro-phenyl)-[1,2,4]-oxadiazol-5-yl]-piperidin-1-yl}-methanone
    • GTPL1420
    • (3S)-3-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(4-fluorophenyl)carbonyl]piperidine
    • EX-A1123
    • BCP03476
    • s-(4-fluoro-phenyl)-{3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
    • (4-fluorophenyl)-((3S)-3-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
    • Q4651211
    • HMS3884J14
    • CCG-268283
    • 851881-60-2
    • SCHEMBL193680
    • NCGC00346722-01
    • (3S)-1-(4-FLUOROBENZOYL)-3-[3-(4-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]PIPERIDINE
    • UNII-4C4P7L0W63
    • Piperidine, 1-(4-fluorobenzoyl)-3-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-, (3S)-
    • HY-13058
    • SW219378-1
    • (S)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-[1,2,4]oxadiazol-5-yl)piperidine
    • (S)-(4-Fluorophenyl)-{3-[3-(4-fluorophenyl)-[1,2,4]oxadiazol-5-yl]piperidin-1-yl}methanone
    • s2690
    • AC-32703
    • DTXSID80234386
    • MFCD17167026
    • GLXC-04939
    • BCP9000240
    • CHEMBL381055
    • EN300-70635
    • Z425632054
    • AS-56107
    • NCGC00346722-07
    • DTXCID80156877
    • BRD-K56543881-001-02-7
    • J-502326
    • BCP0726000205
    • Adx-47273
    • MDL： MFCD17167026
    • Inchi： 1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1
    • InChI Key： VXQCCZHCFBHTTD-HNNXBMFYSA-N
    • SMILES： C(C1C=CC(F)=CC=1)(N1CCC[C@H](C2ON=C(C3C=CC(F)=CC=3)N=2)C1)=O

Computed Properties

  • Exact Mass: 369.12888312g/mol
  • Monoisotopic Mass: 369.12888312g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 3
  • Complexity: 508
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 59.2
  • XLogP3: 3.7

Experimental Properties

  • Color/Form: No data available
  • Density: 1.311
  • Melting Point: No data available
  • Boiling Point: 540.8±60.0 °C at 760 mmHg
  • Flash Point: 280.9±32.9 °C
  • Solubility: 生物體外In Vitro:DMSO溶解度≥ 31 mg/mL(83.93 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知.
  • Optical Activity: [α]/D +90 to +110°, c =?0.1 in chloroform-d

Adx-47273 Security Information

Adx-47273 Pricemore >>

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Adx-47273 Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Diisopropylethylamine Solvents: Dimethylformamide ;  12 h, rt
Reference
Synthesis, SAR and Unanticipated Pharmacological Profiles of Analogues of the mGluR5 Ago-potentiator ADX-47273
Engers, Darren W.; Rodriguez, Alice L.; Williams, Richard; Hammond, Alexis S.; Venable, Daryl; et al, ChemMedChem, 2009, 4(4), 505-511

Adx-47273 Raw materials

Adx-47273 Preparation Products

Adx-47273 Related Literature

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