Cd564
Basic information
- CAS
110952-26-6- Standard SMILES
CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc4cc(C(=O)O)ccc4c3)ccc21- InChIKey
RWYREGSYPCNZTL-UHFFFAOYSA-N- Molecular formula
- C26H26O3
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.18819469
Names & identifiers
- Preferred name
- Cd564
- IUPAC
- 6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
- English name
- 6-[(1,2,3,4-Tetrahydro-1,1,4,4-tetramethylnaphthalene)-6-ylcarbonyl]-2-naphthalenecarboxylic acid
- Molecular formula
- C26H26O3
- Molecular weight
- 386.48
Names & synonyms
cd564110952-26-6DTXSID602743816-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acidRefChem:124114DTXCID302258606-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acidCHEMBL3092826-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALENE-2-CARBONYL)-NAPHTALENE-2-CARBOXYLIC ACID1fcy6-[(1,2,3,4-Tetrahydro-1,1,4,4-tetramethylnaphthalene)-6-ylcarbonyl]-2-naphthalenecarboxylic acidorb1738038
Show more names
CD-5646-[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethylnaphthalen)-2-ylcarbonyl]-2-naphthalenecarboxylic acid2-Naphthalenecarboxylic acid, 6-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]-
SCHEMBL2391376BDBM31886GLXC-23343DB02741NS00069494Q270936896-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthoyl)-2-naphthoic acid6-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]naphthalene-2-carboxylic acid
Database identifiers
- CAS
110952-26-6- PubChem CID
- 2605
- DTXSID
DTXSID60274381- ChEMBL
CHEMBL309282- Nikkaji
- J428.347C
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 648
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 560.8 · 560.8±50.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- pka
- 3.96 · 3.96±0.30(Predicted)
Chemistry & industry
Applications
DescriptionCD564 is a novel selective inhibitor of RARβ/γ.
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Compound notes
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