Basic information
- CAS
3398-48-9- Standard SMILES
COC(=O)c1nc(-c2ccc3c(n2)C(=O)C(N)=C(OC)C3=O)c(N)c(-c2ccc(OC)c(OC)c2O)c1C- InChIKey
HKZHTIOXLTVSKR-UHFFFAOYSA-N- Molecular formula
- C26H24N4O8
- Average molar mass
- 520.5 g/mol
- Monoisotopic mass
- 520.15941374
Overview
Methyl streptonigrin is an organic molecular entity.
Names & identifiers
- Preferred name
- Methyl 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-2-pyridinecarboxylate
- IUPAC
- methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylate
- English name
- Streptonigrin
- Molecular formula
- C26H24N4O8
- Molecular weight
- 520.49
Names & synonyms
Methyl streptonigrin3398-48-9NSC-45384H00548KV4H2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl esterPicolinic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl esterRefChem:1089486Methyl 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-2-pyridinecarboxylateSTREPTONIGRIN METHYL ESTERNSC45384MLS000766273SMR000528866
Show more names
Aids000084Aids-0000845-Amino-6-(5,8-dihydro-7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid methyl ester
methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylateMethyl ester streptonigrinMES (VAN)NSC 45384BRN 5324543UNII-H00548KV4HAI3-52460STN-OCH3
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 960
Physicochemical properties
- Boiling point
- 603.83 °C · 603.83°C (rough estimate)
- Density
- 1.3865 · 1.3865 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- FDA UNII
- 548 KV4H · H00548KV4H
Chemistry & industry
Applications
UsesMethyl streptonigrin (Methyl bruneomycin) is a derivative of streptonigrin. Methyl streptonigrin has anti-tumor activity[1].
Suppliers4 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
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Compound notes
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