| Identification | Back Directory | [Name]
1-{2,4-dimethyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-y l}-2-{1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl }ethan-1-one | [CAS]
2170722-84-4 | [Synonyms]
CVL-231
1-{2,4-dimethyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-y l}-2-{1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl }ethan-1-one | [Molecular Formula]
C20H21F3N4O | [MDL Number]
MFCD34186088 | [MOL File]
2170722-84-4.mol | [Molecular Weight]
390.4 |
| Chemical Properties | Back Directory | [Boiling point ]
546.7±50.0 °C(Predicted) | [density ]
1.320±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 25 mg/mL (64.04 mM; Need ultrasonic) | [form ]
Solid | [pka]
6.14±0.20(Predicted) | [color ]
Off-white to light yellow | [InChI]
InChI=1S/C20H21F3N4O/c1-12-5-13(2)25-17-11-27(10-16(12)17)19(28)6-14-8-26(9-14)15-3-4-24-18(7-15)20(21,22)23/h3-5,7,14H,6,8-11H2,1-2H3 | [InChIKey]
DTCZNKWBDTXEBS-UHFFFAOYSA-N | [SMILES]
C(=O)(N1CC2=C(C)C=C(C)N=C2C1)CC1CN(C2C=CN=C(C(F)(F)F)C=2)C1 |
| Hazard Information | Back Directory | [Uses]
Emraclidine (CVL-231) is a muscarinic M4 receptor positive allosteric modulator (WO2018002760, compound 11). Emraclidine can be used for the research of neurological diseases[1]. | [storage]
Store at -20°C | [References]
[1] WO2018002760 |
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