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Braco-19 trihydrochloride

CAT: 0957-E1302-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E1302-25mgSize:25 mg
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CAS Number
1177798-88-7
Synonyms
BRAC-O19, BRACO19 3HCl
Target
Telomerase
Applications
DNA Damage/DNA Repair
Molecular Formula
C35H43N7O2.3ClH
Additionnal Information
Braco-19 trihydrochloride (BRAC-O19, BRACO19 3HCl) is a G-quadruplex-stabilizing agent and an inhibitor of telomere/telomerase. It establishes antiviral activity against HIV-1 and anticancer effects by inhibiting telomerase capping and catalytic functions.

Chemical Information

BRACO 19 trihydrochloride

BRACO-19 is a hydrochloride. It contains a N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide).

CAS Number1177798-88-7
PubChem CID10349800
IUPAC NameN-[9-[4-(dimethylamino)anilino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide;trihydrochloride
Molecular FormulaC35H46Cl3N7O2
Molecular Weight703.1
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count47
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.Cl.Cl.Cl
InChI
InChI=1S/C35H43N7O2.3ClH/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);3*1H
InChIKey
MJAPNWJRLLDPAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BRACO 19 trihydrochloride
CAS: 1177798-88-7
CID: 10349800
Formula: C35H46Cl3N7O2
MW: 703.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight703.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass701.277857
Monoisotopic Mass701.277857
Topological Polar Surface Area92.8 Ų
Heavy Atom Count47
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 Count4
Compound Is CanonicalizedYes

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