LMP-744 hydrochloride
Basic information
- CAS
308246-57-3- Standard SMILES
COc1cc2c3c(n(CCCNCCO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl- InChIKey
POXWLZDVWCKKEX-UHFFFAOYSA-N- Molecular formula
- C24H25ClN2O7
- Average molar mass
- 488.9 g/mol
- Monoisotopic mass
- 488.1350288
Names & identifiers
- Preferred name
- LMP-744 hydrochloride
- IUPAC
- 20-[3-(2-hydroxyethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione;hydrochloride
- English name
- PubChem ID: 397887
- Molecular formula
- C24H25ClN2O7
- Molecular weight
- 488.92
Names & synonyms
308246-57-3LMP-744 hydrochloride230KX4E61BRefChem:1088544LMP744 hydrochlorideLMP744 HClLMP744 (hydrochloride)NSC706744UNII-230KX4E61B6-(3-((2-hydroxyethyl)amino)propyl)-2,3-dimethoxy-5H-[1,3]dioxolo[4',5':5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione hydrochloride308246-57-3 (HCl)AKOS040733617
Show more names
Mj-III-65PubChem ID: 397887MJ-III65 hydrochlorideNSC706744 hydrochloride)LMP744/MJ-III65/NSC706744 hydrochlorideLMP744LMP-744LMP 744MJ-III-65NSC-706744LMP744 hydrochloride (Synonyms: MJ-III65 hydrochloride
6-[3-[(2-hydroxyethyl)amino]propyl]-2,3-dimethoxy-5H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione hydrochlorideCS-008615920-[3-(2-hydroxyethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione;hydrochloride6-(3-(2-hydroxyethyl)amino-1-propyl)-5,6-dihydro-2,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno(1,2-)isoquinolineLMP744 (HCl)CHEMBL332003orb1309471SCHEMBL6445842
Database identifiers
- CAS
308246-57-3- PubChem CID
- 397887
- DTXSID
DTXSID70327953- ChEMBL
CHEMBL332003- UNII
- 230KX4E61B
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 802
Physicochemical properties
- Melting point
- 284 · 284-288 °C
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 5.56 mg/mL · DMSO : 5.56 mg/mL (11.37 mM)
- form
- Solid
- color
- Light brown to brown
- FDA UNII
- 230 KX4E61B · 230KX4E61B
Chemistry & industry
Applications
UsesLMP744 hydrochloride (MJ-III65 hydrochloride) is a DNA intercalator and Topoisomerase I (Top1) inhibitor with antitumor activity[1].
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