1620576-64-8
1-[4-[5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-hydroxypropan-1-one
Molecular Identity
1620576-64-8
1-[4-[5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-hydroxypropan-1-one
PubChem CID: 76685059
AZD-8835 is a member of the class of triazoles that is 1H-1,2,4-triazole substituted by ethyl, 1-(3-hydroxypropanoyl)piperidin-4-yl, and 5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl groups at positions 1, 3, and 5, respectively. It is a potent inhibitor of PI3Kalpha and PI3Kdelta (IC50 = of 6.2 and 5.7 nM, respectively) which was in a phase 1 clinical trial for the treatment of advanced solid tumours (trial now discontinued). It has a role as an antineoplastic agent, a bone density conservation agent, an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and an apoptosis inducer. It is a primary alcohol, a member of triazoles, a member of pyrazines, a member of 1,3,4-oxadiazoles and a N-acylpiperidine.
2D Structure
Properties
C22H31N9O3
Molecular Formula
469.50
Molecular Weight
g/mol
469.2550
Exact Mass
Da
0.1
XLogP
Drug-like (Lipinski: < 5)
162
TPSA
May have limited oral absorption
2
H-Bond Donors
10
H-Bond Acceptors
685
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
1620576-64-8AZD-8835AZD8835AZD 88358B97A88D351-Propanone, 1-[4-[5-[5-amino-6-[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]-2-pyrazinyl]-1-ethyl-1H-1,2,4-triazol-3-yl]-1-piperidinyl]-3-hydroxy-1-(4-{5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1H-1,2,4-triazol-3-yl}piperidin-1-yl)-3-hydroxypropan-1-one1-Propanone, 1-(4-(5-(5-amino-6-(5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl)-2-pyrazinyl)-1-ethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl)-3-hydroxy-1-(4-(5-(5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-oneRefChem:116054PI3Kalpha Inhibitor AZD88351-(4-(5-(5-Amino-6-(5-(tert-butyl)-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-oneAZD 8835 [WHO-DD]1-[4-[5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-hydroxypropan-1-one1-(4-(5-(5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-one
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to 1620576-64-8
Loading drug network...