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Braco-19

CAT: 0931-T26892-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26892-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
351351-75-2
Target
DNA/RNA Synthesis, Antiviral, Virus Protease, Telomerase
Related Pathways
Cell Cycle/Checkpoint, Microbiology/Virology, Immunology/Inflammation, DNA Damage/DNA Repair
Purity
0.9701
Bioactivity
Braco-19 is a telomerase/telomere inhibitor and an inhibitor of HAdV viral replication with antiviral activity that reduces lipid vacuolization in adipocytes, inhibits proliferation and decreases telomerase activity in human glioblastoma cells.
Smiles
O=C(NC=1C=CC2=C(N=C3C=C(C=CC3=C2NC4=CC=C(C=C4)N(C)C)NC(=O)CCN5CCCC5)C1)CCN6CCCC6
Molecular Formula
C35H43N7O2
Molecular Weight
593.76
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Braco-19

N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide) is a member of acridines and a N-alkylpyrrolidine.

CAS Number351351-75-2
PubChem CID9808666
IUPAC NameN-[9-[4-(dimethylamino)anilino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
Molecular FormulaC35H43N7O2
Molecular Weight593.8
XLogP4.5
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity870
SMILES
CN(C)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6
InChI
InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)
InChIKey
RKPYSYRMIXRZJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Braco-19
CAS: 351351-75-2
CID: 9808666
Formula: C35H43N7O2
MW: 593.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight593.8
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass593.34782364
Monoisotopic Mass593.34782364
Topological Polar Surface Area92.8 Ų
Heavy Atom Count44
Formal Charge0
Complexity870
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