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
- Product 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 No.
- 2170722-84-4
- Chemical 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
- Synonyms
- CVL-231;1-[2,4-Dimethyl-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl]-2-[1-[2-(trifluoromethyl)-4-pyridyl]azetidin-3-yl]ethanone;1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-[2-(trifluoromethyl)-4-pyridyl]azetidin-3-yl]ethanone;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;1-(2,4-Dimethyl-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-2-(1-(2-(trifluoromethyl)pyridin-4-yl)azetidin-3-yl)ethan-1-one;Ethanone, 1-(5,7-dihydro-2,4-dimethyl-6H-pyrrolo[3,4-b]pyridin-6-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]-3-azetidinyl]-;Emraclidine,muscarinic,Schizophrenia,Parkinson,Muscarinic acetylcholine receptor,CVL231,Inhibitor,positive,mAChR,Alzheimer,neurological,inhibit,CVL 231,allosteric
- CBNumber
- CB19727398
- Molecular Formula
- C20H21F3N4O
- Formula Weight
- 390.4
- MOL File
- 2170722-84-4.mol
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 Property
- 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)
- pka
- 6.14±0.20(Predicted)
- form
- Solid
- 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 and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P501Dispose of contents/container to..…
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 Preparation Products And Raw materials
Raw materials
Preparation Products
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 Suppliers
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