ChemicalBook > CAS DataBase List > [5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo[3.1.0]

[5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo[3.1.0]

Product Name
[5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo[3.1.0]
CAS No.
1421936-85-7
Chemical Name
[5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo[3.1.0]
Synonyms
Iclepertin;Iclepertin (BI-425809);[5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo;[5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo[3.1.0];(1R,5R)-3-(5-methanesulfonyl-2-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzoyl)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane;(5-(Methylsulfonyl)-2-(((R)-1,1,1-trifluoropropan-2-yl)oxy)phenyl)((1R,5R)-1-(5-(trifluoromethyl)isoxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl)methanone;Methanone, [5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]phenyl][(1R,5R)-1-[5-(trifluoromethyl)-3-isoxazolyl]-3-azabicyclo[3.1.0]hex-3-yl]-
CBNumber
CB14748684
Molecular Formula
C20H18F6N2O5S
Formula Weight
512.42
MOL File
1421936-85-7.mol
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[5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo[3.1.0] Property

Boiling point:
605.2±55.0 °C(Predicted)
Density 
1.508±0.06 g/cm3(Predicted)
solubility 
Acetonitrile: Slightly soluble: 0.1-1 mg/ml
DMSO: Sparingly soluble: 1-10 mg/ml
form 
Solid
pka
-2.86±0.40(Predicted)
color 
White to off-white
InChIKey
MYHDQTVHHMSLEF-DDBGAENHSA-N
SMILES
C(C1=CC(S(C)(=O)=O)=CC=C1O[C@H](C)C(F)(F)F)(N1C[C@@]2([H])[C@](C3C=C(C(F)(F)F)ON=3)(C2)C1)=O
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H300Fatal if swallowed

H372Causes damage to organs through prolonged or repeated exposure

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P314Get medical advice/attention if you feel unwell.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P405Store locked up.

P501Dispose of contents/container to..…

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[5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo[3.1.0] Chemical Properties,Usage,Production

Uses

[5-?(Methylsulfonyl)?-?2-?[(1R)?-?2,?2,?2-?trifluoro-?1-?methylethoxy]?phenyl]?[(1R,?5R)?-?1-?[5-?(trifluoromethyl)?-?3-?isoxazolyl]?-?3-?azabicyclo[3.1.0]?hex-?3-?yl]?-methanone is a solid form of GlyT1 inhibitor.

in vivo

Single oral administration of Iclepertin induced a dose-dependent increase of glycine cerebrospinal fluid (CSF) levels. Oral administration of Iclepertin in rats induced a dose‐dependent increase of glycine CSF levels from 30% (0.2 mg/kg, not significant) to 78% (2 mg/kg), relative to vehicle[1].

IC 50

GLT1: 5.2 mM (IC50, In rat primary neurons ); GLT1: 5 nM (IC50, In human SK-N-MC cells)

References

[1] HOLGER ROSENBROCK. Evaluation of Pharmacokinetics and Pharmacodynamics of BI 425809, a Novel GlyT1 Inhibitor: Translational Studies[J]. Cts-Clinical and Translational Science, 2018, 11 6: 616-623. DOI: 10.1111/cts.12578
[2] ROSENBROCK H, DORNER‐CIOSSEK C, GIOVANNINI R, et al. Effects of the Glycine Transporter-1 Inhibitor Iclepertin (BI 425809) on Sensory Processing, Neural Network Function, and Cognition in Animal Models Related to Schizophrenia[J]. The Journal of Pharmacology and Experimental Therapeutics, 2022, 24 1: 0. DOI: 10.1124/jpet.121.001071

[5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo[3.1.0] Preparation Products And Raw materials

Raw materials

Preparation Products

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[5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo[3.1.0] Suppliers

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1421936-85-7, [5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo[3.1.0]Related Search:


  • [5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo[3.1.0]
  • Iclepertin
  • Methanone, [5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]phenyl][(1R,5R)-1-[5-(trifluoromethyl)-3-isoxazolyl]-3-azabicyclo[3.1.0]hex-3-yl]-
  • Iclepertin (BI-425809)
  • [5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo
  • (5-(Methylsulfonyl)-2-(((R)-1,1,1-trifluoropropan-2-yl)oxy)phenyl)((1R,5R)-1-(5-(trifluoromethyl)isoxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl)methanone
  • (1R,5R)-3-(5-methanesulfonyl-2-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzoyl)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane
  • 1421936-85-7