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AZD8835

CAT: 1410-M12383-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M12383-04Size:25 mg
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Description
AZD8835 (AZD-8835) is a potent, selective inhibitor of PI3Kα and PI3Kδ with IC50 of 6.2 and 5.7 nM.
CAS Number
1620576-64-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
469.54
Molecular Formula
C22H31N9O3
Notes
Research use only, not for human use.
Receptor
PI3Kα|PI3Kβ|PI3Kγ|PI3Kδ

Chemical Information

Azd-8835

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.

CAS Number1620576-64-8
PubChem CID76685059
IUPAC Name1-[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 FormulaC22H31N9O3
Molecular Weight469.5
XLogP0.1
Topological Polar Surface Area162
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity685
SMILES
CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N
InChI
InChI=1S/C22H31N9O3/c1-5-31-19(26-18(29-31)13-6-9-30(10-7-13)15(33)8-11-32)14-12-24-17(23)16(25-14)20-27-28-21(34-20)22(2,3)4/h12-13,32H,5-11H2,1-4H3,(H2,23,24)
InChIKey
ZGRDYKFVDCFJCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azd-8835
CAS: 1620576-64-8
CID: 76685059
Formula: C22H31N9O3
MW: 469.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.5
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass469.25498588
Monoisotopic Mass469.25498588
Topological Polar Surface Area162 Ų
Heavy Atom Count34
Formal Charge0
Complexity685
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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