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Basic information
- CAS
1233706-89-2- Standard SMILES
CC(C)C(=O)c1cn(CC(O)COc2ccc(Oc3ccccc3)cc2)c2ccc(C(=O)O)cc12- InChIKey
BOEJDYFVYZETDG-UHFFFAOYSA-N- Molecular formula
- C28H27NO6
- Average molar mass
- 473.525 g/mol
- Monoisotopic mass
- 473.18383758
Names & identifiers
- Preferred name
- 1-[2-Hydroxy-3-(4-phenoxyphenoxy)propyl]-3-(2-methylpropanoyl)-1H-indole-5-carboxylic acid
- IUPAC
- 1-[2-Hydroxy-3-(4-phenoxyphenoxy)propyl]-3-(2-methylpropanoyl)-1H-indole-5-carboxylic acid
- English name
- BOEJDYFVYZETDG-UHFFFAOYSA-N
- Molecular formula
- C28H27NO6
- Molecular weight
- 473.52
Names & synonyms
CAY10641CAY10641,CAY-10641BOEJDYFVYZETDG-UHFFFAOYSA-N1-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-3-(2-methylpropanoyl)indole-5-carboxylic acid1H-Indole-5-carboxylic acid, 1-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-3-(2-methyl-1-oxopropyl)-
Database identifiers
- CAS
1233706-89-2- PubChem CID
- 46868635
- DTXSID
DTXSID20676988- ChEMBL
CHEMBL1084100
Properties
Physicochemical properties
- Melting point
- 148 °C · 148 °C(Solv: ligroine (8032-32-4); ethyl acetate (141-78-6))
- Boiling point
- 717.1 · 717.1±60.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 30 mg/ml,DMF:PBS · DMF: 30 mg/ml,DMF:PBS (pH 7) (1:10): 0.1 mg/ml,DMSO: 10 mg/ml,Ethanol: 3 mg/ml
- form
- A crystalline solid
- pka
- 4.1 · 4.10±0.30(Predicted)
Chemistry & industry
Applications
UsescPLA2α-IN-derivative 1 is an inactive alcohol derivative of a highly potent Cytosolic phospholipase A2α (cPLA2α) inhibitor[1].
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [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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