Autotaxin-in-3 is an inhibitor of Autotaxin (IC50 = 2.4 nM), which is responsible for increasing lysophosphatidic acid IN ascites and plasma.

 

Brand: BCM

 

Boiling Point: 807.6±75.0 °C(Predicted)

 

pKa: 8.61±0.20(Predicted)

 

Signaling Pathways: Metabolism

 

Solubility: Soluble in DMSO.

 

Isomeric SMILES: C1CN(CC2=NNN=C21)C(=O)CC3=NN=C(O3)C4=CN=C(N=C4)NC5CC6=CC=CC=C6C5  

 

InChIKey: YJLUBHOZZTYQIP-UHFFFAOYSA-N  

 

InChI: InChI=1S/C22H21N9O2/c32-20(31-6-5-17-18(12-31)27-30-26-17)9-19-28-29-21(33-19)15-10-23-22(24-11-15)25-16-7-13-3-1-2-4-14(13)8-16/h1-4,10-11,16H,5-9,12H2,(H,23,24,25)(H,26,27,30) 

 

Attribute
[Chem Name]	2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone
[Synonym]	Autotaxin-IN-3
[CAS No.]	2156655-68-2
[MDL No.]	MFCD32689576
[Formula]	C22H21N9O2
[Molecular]	443.46
[Form]	Light yellow to yellow solid
[Storage]	Sealed in dry. -20°C

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