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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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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
Loading 3D structure...
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