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Uprosertib

CAT: 1410-M17123-08Size: 200 mgDry Ice: NoHazardous: No
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CAT#:1410-M17123-08Size:200 mg
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Description
Uprosertib (GSK2141795) is a selective, ATP-competitive, and orally bioavailable Akt inhibitor with IC50 of 180 nM, 328 nM, and 38 nM for Akt 1, 2 and 3, respectively. Phase 2.
CAS Number
1047634-65-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
429.25
Molecular Formula
C18H16Cl2F2N4O2
Notes
Research use only, not for human use.
Receptor
Akt1| Akt2| Akt3

Chemical Information

Uprosertib

Uprosertib has been used in trials studying the treatment of Cancer, Melanoma, Solid Tumours, Cervical Cancer, and HER2/Neu Negative, among others.

CAS Number1047634-65-0
PubChem CID51042438
IUPAC NameN-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carboxamide
Molecular FormulaC18H16Cl2F2N4O2
Molecular Weight429.2
XLogP3.4
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity550
SMILES
CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl
InChI
InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1
InChIKey
AXTAPYRUEKNRBA-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of Uprosertib
CAS: 1047634-65-0
CID: 51042438
Formula: C18H16Cl2F2N4O2
MW: 429.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight429.2
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass428.0618375
Monoisotopic Mass428.0618375
Topological Polar Surface Area86.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity550
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