AZD3839 is a potent selective BACE1 inhibitor with a Ki of 26.1 nM, which is 14 times more selective than for BACE2. Phase 1.

 

Brand: BCM

 

Boiling Point: 596.3±60.0 °C(Predicted)

 

pKa: 2.56±0.40(Predicted)

 

Solubility: Soluble in DMSO; soluble in Ethanol (warmed with 50ºC water bath). Insoluble in Water.

 

GHS: GHS07

 

Isomeric SMILES: C1=CC(=CC(=C1)[C@@]2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC(=NC=C4)C(F)F)C5=CN=CN=C5  

 

InChIKey: MRXBCEQZNKUUIP-DEOSSOPVSA-N  

 

InChI: InChI=1S/C24H16F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22H,(H2,28,32)/t24-/m0/s1

 

Attribute
[Chem Name]	(3S)-3-[2-(difluoromethyl)pyridin-4-yl]-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
[Synonym]	AZD3839; AZD3839(free base)
[CAS No.]	1227163-84-9
[EINECS]	682-619-1
[MDL No.]	MFCD25976574
[Formula]	C24H16F3N5
[Molecular]	431.41
[Form]	Powder
[Storage]	Keep in dark place. Inert atmosphere. Store in freezer, under -20°C

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