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PBOX 6

CAT: 1410-M33452-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M33452-04Size:25 mg
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Description
PBOX 6 is a pyrrolo-1,5-benzoxazepine (PBOX) compound exhibiting anticancer and antitumor activity by inhibiting breast cancer cell growth in vitro and selectively inducing apoptosis in leukemia cells through c-Jun NH2 terminal kinase-dependent phosphorylation and inactivation of Bcl-2 and Bcl-XL.
CAS Number
290814-68-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
396.44
Molecular Formula
C25H20N2O3
Notes
Research use only, not for human use.
Receptor
Apoptosis

Chemical Information

Pbox-6

structure in first source

CAS Number290814-68-5
PubChem CID9865511
IUPAC Name(6-naphthalen-1-ylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N,N-dimethylcarbamate
Molecular FormulaC25H20N2O3
Molecular Weight396.4
XLogP4.8
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity675
SMILES
CN(C)C(=O)OC1=C(OC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C25H20N2O3/c1-26(2)25(28)30-24-21-14-8-16-27(21)20-13-5-6-15-22(20)29-23(24)19-12-7-10-17-9-3-4-11-18(17)19/h3-16H,1-2H3
InChIKey
SOIZAFVNIXAZFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pbox-6
CAS: 290814-68-5
CID: 9865511
Formula: C25H20N2O3
MW: 396.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.4
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass396.14739250
Monoisotopic Mass396.14739250
Topological Polar Surface Area43.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity675
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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