Retelliptine
Basic information
- CAS
72238-02-9- Standard SMILES
CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12- InChIKey
PAVKBQLPQCDVNI-UHFFFAOYSA-N- Molecular formula
- C25H32N4O
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.25761166
Overview
Retelliptine is a small molecule drug. Retelliptine has a monoisotopic molecular weight of 404.26 Da.
Names & identifiers
- Preferred name
- Retelliptine
- IUPAC
- N',N'-diethyl-N-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
- English name
- N,N-diethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
- Molecular formula
- C25H32N4O
- Molecular weight
- 404.55
Names & synonyms
Retelliptine72238-02-9RetelliptinumretelliptinaSZ0F94M68JBD-841-((3-(Diethylamino)propyl)amino)-5,11-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazole1-((3-(Diethylamino)propyl)amino)-9-methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazoleDTXSID10222559NSC D626717NSC-D626717SR-95325 B
Show more names
NSC-D-626717-WSR-95325B (diHCl)SR-95325A (dimaleate)1-(3-Diethylaminopropylamino)-5,11-dimethyl-9-methoxy-6H-pyrido[4,3-b]carbazoleN-[3-(Diethylamino)propyl]-5,11-dimethyl-9-methoxy-6H-pyrido[4,3-b]carbazole-1-amineN,N-diethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamineN,N-Diethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)-1,3-propanediamineN,N-Diethyl-N'-(5,11-dimethyl-9-methoxy-6H-pyrido[4,3-b]carbazole-1-yl)-1,3-propanediamine
RefChem:178967DTXCID90145050276-512-5Retelliptine [INN]BD 84N',N'-diethyl-N-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamineN1,N1-Diethyl-N3-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diaminePetelliptine [French]
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 541
Physicochemical properties
- Boiling point
- 626.8 · 626.8±55.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- 16.52 · 16.52±0.40(Predicted)
- FDA UNII
- 0 F94M68J · SZ0F94M68J
Chemistry & industry
Applications
UsesRetelliptine (BD84), a derivative of ellipticine, is an inhibitor of Topoisomerase II with anticancer activity. Retelliptine can bind to DNA and inhibit Topoisomerase II during DNA replication[1][2].
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Compound notes
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