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Buparlisib Hydrochloride

CAT: 1568-C03949-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C03949-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1312445-63-8
Synonyms
BKM12 Hydrochloride, NVP-BKM12 Hydrochloride
Additionnal Information
Buparlisib Hydrochloride (BKM120 Hydrochloride) is a pan-class I PI3K inhibitor, with IC50 of 52 nM/166 nM/116 nM/262 nM for p110α/p110β/p110δ/p110γ, respectively.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Buparlisib Hydrochloride
CAS Number1312445-63-8
PubChem CID66577015
IUPAC Name5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
Molecular FormulaC18H22ClF3N6O2
Molecular Weight446.9
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity530
SMILES
C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4.Cl
InChI
InChI=1S/C18H21F3N6O2.ClH/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);1H
InChIKey
DGPLYAXBXJXEID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Buparlisib Hydrochloride
CAS: 1312445-63-8
CID: 66577015
Formula: C18H22ClF3N6O2
MW: 446.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass446.1444861
Monoisotopic Mass446.1444861
Topological Polar Surface Area89.6 Ų
Heavy Atom Count30
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 Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T16365-01Buparlisib Hydrochloride
HY-15180-01Buparlisib (Hydrochloride)
HY-15180R-01Buparlisib (Hydrochloride) (Standard)
A15195-100NVP-BKM120 Hydrochloride (Buparlisib HCl) 100mg
A15195-2NVP-BKM120 Hydrochloride (Buparlisib HCl) 2mg
HY-70063-01Buparlisib
S2247-01Buparlisib (BKM120)
HY-70063R-01Buparlisib (Standard)
412131Buparlisib HCl
CS-O-13930Buparlisib-d8

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