ChemicalBook--->CAS DataBase List--->1312445-63-8

1312445-63-8

1312445-63-8 Structure

1312445-63-8 Structure
IdentificationBack Directory
[Name]

NVP-BKM120 (Hydrochloride)
[CAS]

1312445-63-8
[Synonyms]

CS-2154
BKM 120AAA
Buparlisib HCl
NVP-BKM120 HCl
BKM-120 (HCl salt)
NVP-BKM120 HCl salt
BKM120 hydrochloride
BKM-120 hydrochloride
BKM 120 hydrochloride
NVP-BKM120 (HYDROCHLORI
Buparlisib hydrochloride
NVP-BKM120 (Hydrochloride)
BKM-120 HYDROCHLORIDE;BUPARLISIB HYDROCHLORIDE
BKM-120 HYDROCHLORIDE; BKM120 HYDROCHLORIDE; BKM 120 HYDROCHLORIDE
5-(2,6-DiMorpholinopyriMidin-4-yl)-4-(trifluoroMethyl)pyridin-2-aMine hydrochloride
5-(2,6-Di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-2-pyridinamine hydrochloride (1:1)
[Molecular Formula]

C18H22ClF3N6O2
[MDL Number]

MFCD22124511
[MOL File]

1312445-63-8.mol
[Molecular Weight]

446.854
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

≥44.7 mg/mL in DMSO; ≥52.8 mg/mL in H2O with gentle warming; ≥96 mg/mL in EtOH with gentle warming
[form ]

solid
[color ]

White to yellow
[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
[SMILES]

C(C1=CC(N)=NC=C1C1=NC(N2CCOCC2)=NC(N2CCOCC2)=C1)(F)(F)F.Cl
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Environment (GHS09)Skull and Crossbones (GHS06)
GHS08,GHS09,GHS06
[Signal word ]

Danger
[Hazard statements ]

H372-H400-H341-H300-H411
[Precautionary statements ]

P260-P264-P270-P314-P501-P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501-P201-P202-P281-P308+P313-P405-P501
Hazard InformationBack Directory
[Uses]

NVP-BKM 120-d16 Hydrochloride is the salt, labeled analogue of NVP-BKM 120 (N925760), a novel anti-tumor active compound that is selective in that it inhibits specifically PI3 kinase activating cell death in glioma cells. Glioma cells being those that proliferate from tumors in the brain or the spine.
[Definition]

Buparlisib hydrochloride (BKM120 Hydrochloride) is an investigational small molecule orally available pan-class I phosphoinositide 3-kinase inhibitor, with IC50 of 52 nM/166 nM/116 nM/262 nM for p110α/p110β/p110δ/p110γ, respectively.
[Mode of action]

Buparlisib specifically inhibits class I PIK3 in the PI3K/AKT kinase signaling pathway in an ATP-competitive manner, thus inhibiting the production of the secondary messenger phosphatidylinositol (3,4,5)-trisphosphate and activation of the PI3K signaling pathway. This may induce inhibition of tumour cell growth and survival in susceptible tumour cell populations. Buparlisib is currently under investigation in patients with a variety of solid tumours, including breast cancer[1].
[References]

[1] Carmen Criscitiello. “Profile of buparlisib and its potential in the treatment of breast cancer: evidence to date.” Breast Cancer?: Targets and Therapy 10 (2018): 23–29.
Spectrum DetailBack Directory
[Spectrum Detail]

Buparlisib Hydrochloride(1312445-63-8)MS
Buparlisib Hydrochloride(1312445-63-8)1HNMR
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