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AZD8835

CAT: 0607-B6178-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-B6178-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PI3Kα and PI3Kδ inhibitor
CAS Number
1620576-64-8
Product Name Alternative
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-one
Field of Research
PI3K Akt mTOR Signaling PI3K
Purity
0.98
Solubility
Soluble in DMSO
Smiles
O=C(N1CCC(C2=NN(CC)C(C3=NC(C4=NN=C(C(C)(C)C)O4)=C(N)N=C3)=N2)CC1)CCO
Molecular Formula
C22H31N9O3
Molecular Weight
469.54
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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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