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NVP BGT 226

CAT: 0926-FN104017-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FN104017-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1245537-68-1
MDL Number
MFCD22124895
Smiles
CN1C2=CN=C3C=CC (=CC3=C2N (C1=O) C4=CC (=C (C=C4) N5CCNCC5) C (F) (F) F) C6=CN=C (C=C6) OC.C (=C\C (=O) O) \C (=O) O
Molecular Formula
C28H25F3N6O2•C4H4O4
Molecular Weight
650.6 g/mol
Controlled
No

Chemical Information

Bgt226

BGT226 is the maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor. It has a role as an antineoplastic agent, an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and a mTOR inhibitor. It contains a BGT226(1+).

CAS Number1245537-68-1
PubChem CID57336745
IUPAC Name(Z)-but-2-enedioic acid;8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
Molecular FormulaC32H29F3N6O6
Molecular Weight650.6
Topological Polar Surface Area148
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count47
Formal Charge0
Complexity992
SMILES
CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C28H25F3N6O2.C4H4O4/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36;5-3(6)1-2-4(7)8/h3-8,13-16,32H,9-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
YUXMAKUNSXIEKN-BTJKTKAUSA-N
Chemical Structure
2D Structure
2D structure of Bgt226
CAS: 1245537-68-1
CID: 57336745
Formula: C32H29F3N6O6
MW: 650.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight650.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass650.21006715
Monoisotopic Mass650.21006715
Topological Polar Surface Area148 Ų
Heavy Atom Count47
Formal Charge0
Complexity992
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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