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Buparlisib

Buparlisib structure

CAS No:
944396-07-0
Formula:
C18H21F3N6O2
Chemical Name:
Buparlisib
Synonyms:
2-Pyridinamine,5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-;5-(2,6-Di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-2-pyridinamine;BKM 120;NVP-BKM 120;Buparlisib;BKM 120NX;5-(2,6-Dimorpholinopyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-amine;1202777-78-3
Categories:
Biochemical Engineering > Inhibitors

Description

NVP-BKM120 is a pan-class I PI3K inhibitor, with IC50s of 52, 166, 116 and 262 nM for p110α, p110β, p110δ and p110γ, respectively.

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 EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and an antineoplastic agent. It is a member of morpholines, an aminopyrimidine, an aminopyridine and an organofluorine compound.|Buparlisib has been used in trials studying the treatment and basic science of Lymphoma, Metastases, Lung Cancer, Solid Tumors, and Breast Cancer, among others.|Buparlisib is an orally bioavailable specific oral inhibitor of the pan-class I phosphatidylinositol 3-kinase (PI3K) family of lipid kinases with potential antineoplastic activity. Buparlisib specifically inhibits class I PI3K in the PI3K/AKT kinase (or protein kinase B) signaling pathway in an ATP-competitive manner, thereby inhibiting the production of the secondary messenger phosphatidylinositol-3,4,5-trisphosphate and activation of the PI3K signaling pathway. This may result in inhibition of tumor cell growth and survival in susceptible tumor cell populations. Activation of the PI3K signaling pathway is frequently associated with tumorigenesis. Dysregulated PI3K signaling may contribute to tumor resistance to a variety of antineoplastic agents.

Buparlisib Basic Attributes

Molecular Weight：

410.3935496

Exact Mass：

410.39

UNII：

0ZM2Z182GD

DSSTox ID：

DTXSID50241486

NCI Thesaurus Code：

C90565

HScode：

2934999090

Characteristics

PSA：

89.6

XLogP3：

1.5

Density：

1.4±0.1 g/cm3

Flash Point：

344.3±34.3 °C

Refractive Index：

1.574

Safety Information

Precautionary statement(s)：

P201, P202, P260, P264, P270, P281, P301+P310, P308+P313, P314, P321, P330, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P260, P264, P270, P281, P301+P310, P308+P313, P314, P321, P330, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

BKM120

Buparlisib Use and Manufacturing

NVP-BKM 120 is 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.

Computed Properties

Molecular Weight:410.4
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:3
Exact Mass:410.16780842
Monoisotopic Mass:410.16780842
Topological Polar Surface Area:89.6
Heavy Atom Count:29
Complexity:530
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes