Basic information
- CAS
5539-66-2- Standard SMILES
COc1cccc2c1C(=O)c1c(O)cccc1C2=O- InChIKey
QWZMLZHLNDNLAD-UHFFFAOYSA-N- Molecular formula
- C15H10O4
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.0579088
Overview
1-Hydroxy-8-methoxyanthra-9,10-quinone has been reported in Grosmannia wageneri with data available.
Names & identifiers
- Preferred name
- 1-Hydroxy-8-methoxyanthracene-9,10-dione
- IUPAC
- 1-hydroxy-8-methoxyanthracene-9,10-dione
- English name
- 1-Hydroxy-8-methoxyanthraquinone
- Molecular formula
- C15H10O4
- Molecular weight
- 254.24
Names & synonyms
5539-66-21-hydroxy-8-methoxyanthracene-9,10-dione6PGD-IN-S31-Hydroxy-8-methoxyanthraquinoneDanthron methyl derivative1-Hydroxy-8-methoxyanthra-9,10-quinone9,10-Anthracenedione, 1-hydroxy-8-methoxy-1-Hydroxy-8-methoxy-anthraquinon6PGD Inhibitor S31-Hydroxy-8-methoxy-9,10-anthraquinone1-Methoxy-8-hydroxy-9,10-anthraquinoneCHEMBL254888
Show more names
6PGD-IN-S3, 10 mM in DMSO6PGD IN S3,6PGD-IN-S-3,6PGDINS3
orb1305229orb1940356SCHEMBL8382011DTXSID70347338QWZMLZHLNDNLAD-UHFFFAOYSA-N1-Hydroxy-8-methoxy-anthraquinone1-HYDROXY-8-METHOXY-9,10-DIHYDROANTHRACENE-9,10-DIONEMFCD00666925
Database identifiers
- CAS
5539-66-2- PubChem CID
- 620286
- DTXSID
DTXSID70347338- ChEMBL
CHEMBL254888- EC Number
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 196.8 · 196.8-198 °C
- Boiling point
- 480.5 · 480.5±45.0 °C(Predicted)
- Density
- 1.4 · 1.400±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Solid
- pka
- 6.75 · 6.75±0.20(Predicted)
- color
- White to yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Applications
Uses6PGD-IN-1 (compound S3) is an inhibitor of 6-phosphogluconate dehydrogenase (6PGD). IC50 and Kd the value of 17.8μM and 17.1 μM respectively. 6PGD-IN-1 has antitumor activity[1].
Suppliers15 total
北京博奥森生物技术有限公司400-901-9800 18611424007 · [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 Sciences16314854226; +8616314854226 · [email protected]
贵州谦一科技有限责任公司16651422671 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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