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AMG 511

CAT: 0013-GTR19156319-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156319-02Size:200 mg
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Description
AMG 511 is a potent and orally available pan inhibitor of class I PI3Ks (Kis of 4 nM, 6 nM, 2 nM and 1 nM for PI3Kα, β, δ and γ, respectively) . It exhibits anti-tumor activity in mouse glioblastoma xenograft model[1]. AMG 511 significantly suppresses PI3K signaling that is indicated by p-Akt (Ser473) decrease.
CAS Number
1253573-53-3
Purity
>98% (HPLC)
Solubility
DMSO:33.33 mg/mL (64.40 mM; Need ultrasonic)
Smiles
C[C@H] (c (cc1-c2nc (N) nc (C) n2) cnc1Nc (cc1F) cnc1OC) N (CC1) CCN1S (C) (=O) =O
Molecular Formula
C22H28FN9O3S
Molecular Weight
517.58
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

4-(2-[(5-Fluoro-6-Methoxypyridin-3-Yl)amino]-5-{(1r)-1-[4-(Methylsulfonyl)piperazin-1-Yl]ethyl}pyridin-3-Yl)-6-Methyl-1,3,5-Triazin-2-Amine
CAS Number1253573-53-3
PubChem CID56947516
IUPAC Name4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
Molecular FormulaC22H28FN9O3S
Molecular Weight517.6
XLogP1.1
Topological Polar Surface Area161
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity813
SMILES
CC1=NC(=NC(=N1)N)C2=C(N=CC(=C2)[C@@H](C)N3CCN(CC3)S(=O)(=O)C)NC4=CC(=C(N=C4)OC)F
InChI
InChI=1S/C22H28FN9O3S/c1-13(31-5-7-32(8-6-31)36(4,33)34)15-9-17(20-27-14(2)28-22(24)30-20)19(25-11-15)29-16-10-18(23)21(35-3)26-12-16/h9-13H,5-8H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m1/s1
InChIKey
KUGIFHQBIIHRIZ-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-[(5-Fluoro-6-Methoxypyridin-3-Yl)amino]-5-{(1r)-1-[4-(Methylsulfonyl)piperazin-1-Yl]ethyl}pyridin-3-Yl)-6-Methyl-1,3,5-Triazin-2-Amine
CAS: 1253573-53-3
CID: 56947516
Formula: C22H28FN9O3S
MW: 517.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.6
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass517.20198512
Monoisotopic Mass517.20198512
Topological Polar Surface Area161 Ų
Heavy Atom Count36
Formal Charge0
Complexity813
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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