N,N'-Bis(6-chloro-2-methoxy-9-acridinyl)-1,4-piperazinedipropanamine
Basic information
- CAS
119662-55-4- Standard SMILES
COc1ccc2nc3cc(Cl)ccc3c(NCCCN3CCN(CCCNc4c5ccc(Cl)cc5nc5ccc(OC)cc45)CC3)c2c1- InChIKey
GUTKNTSGEOMFPZ-UHFFFAOYSA-N- Molecular formula
- C38H40Cl2N6O2
- Average molar mass
- 683.7 g/mol
- Monoisotopic mass
- 682.2589799
Names & identifiers
- Preferred name
- N,N'-Bis(6-chloro-2-methoxy-9-acridinyl)-1,4-piperazinedipropanamine
- IUPAC
- 6-chloro-N-[3-[4-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]-2-methoxyacridin-9-amine
- English name
- BICAPPA
- Molecular formula
- C38H40Cl2N6O2
- Molecular weight
- 683.67
Names & synonyms
RefChem:821815N,N'-Bis(6-chloro-2-methoxy-9-acridinyl)-1,4-piperazinedipropanamine634-247-6BiCAPPA119662-55-46-chloro-N-[3-[4-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]-2-methoxyacridin-9-amineN,N'-(Piperazine-1,4-diylbis(propane-3,1-diyl))bis(6-chloro-2-methoxyacridin-9-amine)CHEMBL92547orb1744188SCHEMBL4954720SCHEMBL30401643DTXSID10431402
Show more names
BiCAPPA >=97% (HPLC), solid1,4-Piperazinedipropanamine, N1,N4-bis(6-chloro-2-methoxy-9-acridinyl)-
BiCAPPA, >=97% (HPLC), solidNCGC00165756-01DA-51104HY-138865CS-0169662T73416N,N'-[Piperazine-1,4-diyldi(propane-3,1-diyl)]bis(6-chloro-2-methoxyacridin-9-amine)
Database identifiers
- CAS
119662-55-4- PubChem CID
- 9831373
- DTXSID
DTXSID10431402- ChEMBL
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 915
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 10 mg/mL · DMSO: ~10 mg/mL
- form
- solid
- color
- yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesBiCAPPA is the first bivalent antiprion ligand. BiCAPPA can decrease infectious conformational form of prion protein (PrPSc) from scrapie-infected cells, with an EC50 of 0.32 μM[1][2].
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Compound notes
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