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BiCAPPA

CAT: 0013-GTR19212130-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212130-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BiCAPPA is a bivalent antiprion compound that effectively reduces infectious PrPSc in scrapie-infected cell models with an EC50 of 0.32 μM. It serves as a valuable research tool for studying prion disease mechanisms and evaluating therapeutic strategies in both in vitro and in vivo experimental systems.
CAS Number
119662-55-4
Purity
98.00% (May vary between batches)
Smiles
ClC=1C=CC=2C (=NC=3C=CC (OC) =CC3C2NCCCN4CCN (CC4) CCCNC5=C6C=CC (Cl) =CC6=NC=7C=CC (OC) =CC75) C1
Molecular Formula
C38H40Cl2N6O2
Molecular Weight
683.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N,N'-Bis(6-chloro-2-methoxy-9-acridinyl)-1,4-piperazinedipropanamine
CAS Number119662-55-4
PubChem CID9831373
IUPAC Name6-chloro-N-[3-[4-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]-2-methoxyacridin-9-amine
Molecular FormulaC38H40Cl2N6O2
Molecular Weight683.7
XLogP8.6
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count48
Formal Charge0
Complexity915
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN4CCN(CC4)CCCNC5=C6C=C(C=CC6=NC7=C5C=CC(=C7)Cl)OC
InChI
InChI=1S/C38H40Cl2N6O2/c1-47-27-7-11-33-31(23-27)37(29-9-5-25(39)21-35(29)43-33)41-13-3-15-45-17-19-46(20-18-45)16-4-14-42-38-30-10-6-26(40)22-36(30)44-34-12-8-28(48-2)24-32(34)38/h5-12,21-24H,3-4,13-20H2,1-2H3,(H,41,43)(H,42,44)
InChIKey
GUTKNTSGEOMFPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N'-Bis(6-chloro-2-methoxy-9-acridinyl)-1,4-piperazinedipropanamine
CAS: 119662-55-4
CID: 9831373
Formula: C38H40Cl2N6O2
MW: 683.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight683.7
XLogP38.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass682.2589799
Monoisotopic Mass682.2589799
Topological Polar Surface Area74.8 Ų
Heavy Atom Count48
Formal Charge0
Complexity915
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
MBS5815557BiCAPPA

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