Basic information
- CAS
4533-39-5- Standard SMILES
CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12- InChIKey
YMVWGSQGCWCDGW-UHFFFAOYSA-N- Molecular formula
- C18H20N4O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.15862589
Overview
Nitracrine is a member of acridines.
Names & identifiers
- Preferred name
- Nitracrine
- IUPAC
- N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine
- English name
- Nitracrine
- Molecular formula
- C18H20N4O2
- Molecular weight
- 324.382
Names & synonyms
Nitracrine4533-39-5NitracrinaNitracrinum712MLZ30SBC 2831,3-Propanediamine, N,N-dimethyl-N'-(1-nitro-9-acridinyl)-DTXSID90196481C283RefChem:166038DTXCID00118972Nitracrine [INN]
Show more names
3-(dimethylamino)propyl-(1-nitroacridin-9-yl)amine1,3-Propanediamine, N1,N1-dimethyl-N3-(1-nitro-9-acridinyl)-
Nitracrine?LedacrineN',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine1-Nitro-9-(3'-dimethylaminopropylamino)-acridine1-Nitro-9-(dimethylaminopropylamino)acridine9-((3-(Dimethylamino)propyl)amino)-1-nitroacridineNitracrinum [INN-Latin]Nitracrina [INN-Spanish]
Database identifiers
- CAS
4533-39-5、6514-85-8- PubChem CID
- 20628
- DTXSID
DTXSID90196481- ChEMBL
CHEMBL26291- ChEBI
CHEBI:135384- UNII
- 712MLZ30SB
- Nikkaji
- J8.744K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 426
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP3.8
Physicochemical properties
- Melting point
- 134 · 134-135°
- Boiling point
- 462.71 °C · 462.71°C (rough estimate)
- Density
- 1.2155 · 1.2155 (rough estimate)
- refractive index
- 1.67 · 1.6700 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 1 · pKa1 6.45; pKa2 8.8(at 25℃)
- color
- Brown to reddish brown
- FDA UNII
- 712 MLZ30SB · 712MLZ30SB
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Compounds that inhibit cell production of DNA or RNA.
Applications
UsesNitracrine inhibits RNA synthesis and covalently, reversibly binds to DNA but also forms covalent adducts with DNA in vivo. Nitracrine, a 1-nitroacridine derivative, is a potent hypoxia-selective agent in vitro and antitumor agent. Nitracrine has cytotoxicity towards most cells[1][2][3].
Suppliers11 total
LGM Pharma1-(800)-881-8210 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
深圳市丽晶生化科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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