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Buparlisib (BKM120)

CAT: 1568-C16723-10mgSize: 10 mgDry Ice: YesHazardous: No
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CAT#:1568-C16723-10mgSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
944396-07-0
Synonyms
NVP-BKM120
Target
PI3K
Applications
PI3K/Akt/mTOR
Smiles
C1COCCN1C2=NC (=NC (=C2) C3=CN=C (C=C3C (F) (F) F) N) N4CCOCC4
Molecular Formula
C18H21F3N6O2
Additionnal Information
Buparlisib (BKM120, NVP-BKM120) is a selective PI3K inhibitor of p110α/β/δ/γ with IC50 of 52 nM/166 nM/116 nM/262 nM in cell-free assays, respectively. Reduced potency against VPS34, mTOR, DNAPK, with little activity to PI4Kβ. Buparlisib induces apoptosis. Phase 2.
Storage Conditions
2 years -80 in solvent

Chemical Information

Buparlisib

BKM120 is an aminopyridine that is 4-(trifluoromethyl)pyridin-2-amine substituted at position 5 by a 2,6-di(morpholin-4-yl)pyrimidin-4-y group. A selective PI3K inhibitor with anti-tumour properties. It has a role as an antineoplastic agent and an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It is an organofluorine compound, an aminopyridine, an aminopyrimidine and a member of morpholines.

CAS Number944396-07-0
PubChem CID16654980
IUPAC Name5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
Molecular FormulaC18H21F3N6O2
Molecular Weight410.4
XLogP1.5
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity530
SMILES
C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4
InChI
InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)
InChIKey
CWHUFRVAEUJCEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Buparlisib
CAS: 944396-07-0
CID: 16654980
Formula: C18H21F3N6O2
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass410.16780842
Monoisotopic Mass410.16780842
Topological Polar Surface Area89.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity530
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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CatalogName
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