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NVP-BEZ235

CAT: 0862-GW9334-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0862-GW9334-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
915019-65-7
Storage Conditions
-20°C
Hazardous Class
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Chemical Information

Dactolisib

Dactolisib is an imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment. It has a role as an antineoplastic agent, an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and a mTOR inhibitor. It is a nitrile, a member of quinolines, a ring assembly, an imidazoquinoline and a member of ureas.

CAS Number915019-65-7
PubChem CID11977753
IUPAC Name2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
Molecular FormulaC30H23N5O
Molecular Weight469.5
XLogP5.2
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity872
SMILES
CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5
InChI
InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
InChIKey
JOGKUKXHTYWRGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dactolisib
CAS: 915019-65-7
CID: 11977753
Formula: C30H23N5O
MW: 469.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.5
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass469.19026037
Monoisotopic Mass469.19026037
Topological Polar Surface Area73.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity872
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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Alternative Products

CatalogName
A8246-50BEZ235 (NVP-BEZ235)
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MBS576124BEZ235 (NVP-BEZ235, Dactolisib)
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