2,5-Bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-2,5-cyclohexadiene-1,4-dione
Basic information
- CAS
221635-42-3- Standard SMILES
CC1=C(N2CC2)C(=O)C(CO)=C(N2CC2)C1=O- InChIKey
JKDLOGLNPDVUCX-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.10044231
Overview
RH-1 has been used in trials studying the treatment of Advanced Solid Tumors and Non-Hodgkin's Lymphoma.
Names & identifiers
- Preferred name
- 2,5-Bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-2,5-cyclohexadiene-1,4-dione
- IUPAC
- 2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione
- English name
- NSC 697726
- Molecular formula
- C12H14N2O3
- Molecular weight
- 234.25
Names & synonyms
221635-42-32,5-Bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-2,5-cyclohexadiene-1,4-dioneRefChem:197402RH-1RH1RH 12,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dioneIJ5CEP760YNSC-697726NSC697726UNII-IJ5CEP760YNSC 697726
Show more names
2,5-Di(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-1,4-benzoquinone
MLS0027029412,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-NCIMech_000177SCHEMBL345136orb1706722CHEMBL1235676DTXSID601140346CCG-35238
Database identifiers
- CAS
221635-42-3- PubChem CID
- 394347
- DTXSID
DTXSID601140346- ChEMBL
CHEMBL1235676- UNII
- IJ5CEP760Y
- Nikkaji
- J1.123.584K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 482
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- color
- Brown to red
- FDA UNII
- 5 CEP760Y · IJ5CEP760Y
Chemistry & industry
Applications
UsesRH1 (NSC 697726) is a potent bioreductive agent with profound anti-cancer activity in vitro and in vivo.
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Compound notes
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