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BHA536

CAT: 0931-T200350-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T200350-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
919992-85-1
Target
NF-κB, Apoptosis, PKC
Related Pathways
NF-κB, Apoptosis, Chromatin/Epigenetic, Cytoskeletal Signaling
Bioactivity
BHA536 is an orally effective inhibitor of PKCα/β and the NF-kB signaling pathway. This compound inhibits the proliferation of ABC DLBCL cells harboring CD79 mutations by causing cell cycle arrest in the G1 phase and induces apoptosis in TMD8 cells. Additionally, BHA536 exhibits antitumor activity in mice.
Smiles
O=C1NC(=O)C(C2=C(Cl)C=CC3=CC=C(C=C32)CN(C)C)=C1C4=CNC=5C(OCCOCCOC)=CC=CC45
Molecular Formula
C30H30ClN3O5
Molecular Weight
548.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-[7-[2-(2-methoxyethoxy)ethoxy]-1H-indol-3-yl]pyrrole-2,5-dione
CAS Number919992-85-1
PubChem CID15952077
IUPAC Name3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-[7-[2-(2-methoxyethoxy)ethoxy]-1H-indol-3-yl]pyrrole-2,5-dione
Molecular FormulaC30H30ClN3O5
Molecular Weight548.0
XLogP4.1
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count39
Formal Charge0
Complexity913
SMILES
CN(C)CC1=CC2=C(C=C1)C=CC(=C2C3=C(C(=O)NC3=O)C4=CNC5=C4C=CC=C5OCCOCCOC)Cl
InChI
InChI=1S/C30H30ClN3O5/c1-34(2)17-18-7-8-19-9-10-23(31)25(21(19)15-18)27-26(29(35)33-30(27)36)22-16-32-28-20(22)5-4-6-24(28)39-14-13-38-12-11-37-3/h4-10,15-16,32H,11-14,17H2,1-3H3,(H,33,35,36)
InChIKey
ARAWNHPXQUHVIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-[7-[2-(2-methoxyethoxy)ethoxy]-1H-indol-3-yl]pyrrole-2,5-dione
CAS: 919992-85-1
CID: 15952077
Formula: C30H30ClN3O5
MW: 548.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.0
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass547.1873988
Monoisotopic Mass547.1873988
Topological Polar Surface Area92.9 Ų
Heavy Atom Count39
Formal Charge0
Complexity913
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

Alternative Products

CatalogName
GTR19239017-01BHA536

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