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153559-76-3 molecular structure
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6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid

ChemBase ID: 1708
Molecular Formular: C24H29NO2
Molecular Mass: 363.49256
Monoisotopic Mass: 363.21982917
SMILES and InChIs

SMILES:
Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(=O)O)C(C)(C)CCC2(C)C
Canonical SMILES:
Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(=O)O)C(C)(C)CCC2(C)C
InChI:
InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27)
InChIKey:
SLXTWXQUEZSSTJ-UHFFFAOYSA-N

Cite this record

CBID:1708 http://www.chembase.cn/molecule-1708.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid
IUPAC Traditional name
6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid
Synonyms
6-[1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)cyclopropyl]-3-Pyridinecarboxylic Acid
AGN 192620
ALRT 268
CD 3127
LG 268
LGD 100268
LGD 1268
LG 100268
6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-Tetrahydronaphthalen-2-Yl)Cyclopropyl]Pyridine-3-Carboxylic Acid
CAS Number
153559-76-3
PubChem SID
160965165
46505129
PubChem CID
3922

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
TRC
L397650 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 3.9288204  H Acceptors
H Donor LogD (pH = 5.5) 4.396279 
LogD (pH = 7.4) 2.867808  Log P 5.816521 
Molar Refractivity 118.8092 cm3 Polarizability 41.678032 Å3
Polar Surface Area 50.19 Å2 Rotatable Bonds
Lipinski's Rule of Five false 
Log P 6.15  LOG S -6.08 
Solubility (Water) 3.02e-04 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
275-277°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

DrugBank DrugBank TRC TRC
DrugBank - DB01941 external link
Drug information: experimental
Toronto Research Chemicals - L397650 external link
LG 100268 is a potent RXR agonist for evaluation in the treatment of non-insulin-dependent (type II) diabetes mellitus (NIDDM).

REFERENCES

REFERENCES

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  • • Clyne, C., et al.: J. Biol. Chem., 277, 20591 (2002)
  • • Santen, R., et al.: J. Clin. Endocrinol. Metab., 87, 3007 (2002)
  • • Falender, A., et al.: Endocrinology, 144, 3598 (2002)
  • • Sablin, E., et al.: Mol. Cell., 11, 1575 (2003)
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PATENTS

PATENTS

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INTERNET

INTERNET

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