Basic information
- CAS
153559-76-3- Standard SMILES
Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)CCC2(C)C- InChIKey
SLXTWXQUEZSSTJ-UHFFFAOYSA-N- Molecular formula
- C24H29NO2
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.21982917
Overview
LG-100268 is a retinoid X receptor (RXR) selective compound.
Names & identifiers
- Preferred name
- 6-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)cyclopropyl)-3-pyridinecarboxylic acid
- IUPAC
- 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid
- English name
- 6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-cyclopropyl]-nicotinic acid
- Molecular formula
- C24H29NO2
- Molecular weight
- 363.49
Names & synonyms
153559-76-3LG 100268AGN 192620ALRT 268CD 3127UVU4X1103PDTXSID90165354CD-3127ALRT-268LGD 1268LGD-1268AGN-192620
Show more names
LG 268hthalenyl)cyclopropyl)-3-pyridinecarboxylicacid,6-(1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-nap6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)cyclopropyl]nicotinic Acid
LGD 100268LGD-1002686-[1-(5,6,7,8-TETRAHYDRO-3,5,5,8,8-PENTAMETHYL-2-NAPHTHALENYL)CYCLOPROPYL]-3-PYRIDINECARBOXYLIC ACIDSC-2117376-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)cyclopropyl)-3-pyridinecarboxylic acidRefChem:799054DTXCID7087845lg100268
Database identifiers
- CAS
153559-76-3- PubChem CID
- 3922
- DTXSID
DTXSID90165354- ChEMBL
CHEMBL288436- UNII
- UVU4X1103P
- Nikkaji
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 591
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 275 · 275-277°C
- Boiling point
- 487 · 487.0±33.0 °C(Predicted)
- Density
- 1.115 · 1.115±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 5 mg/mL · DMSO: ≥5mg/mL (warmed)
- pka
- 2.35 · 2.35±0.10(Predicted)
- form
- powder
- color
- white to beige
- 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
- SMILES
- Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(O)=O)C(C)(C)CCC2(C)C
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
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesLG 100268 is a potent RXR agonist for evaluation in the treatment of non-insulin-dependent (type II) diabetes mellitus (NIDDM).
Suppliers30 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
銳迪國際科技有限公司18024082417 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
2 records
Compound notes
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