![Benzoicacid,4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]- structure, CAS 153559-46-7](/structures/80000/70311_1_153559_46_7.png)
CAS Number153559-46-7
SynonymsBenzoic acid,4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]; 4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid; 4-[(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoic acid; 4-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)carbonyl]benzoic acid; 3-Methyl-TTNCB; QC-1681; p-[3,5,5,8,8-pentamethyl-1,2,3,4-tetrahydro-2-naphthyl-(2-carbonyl)]benzoic acid; LG-100064
Molecular FormulaC23H26O3
Molecular Weight350.46
Density1.095
Boiling Point491.367ºC at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 153559-46-7 |
| Catalog No. | 2A-9070311 |
| Chinese Name | 蓓萨罗丁中间体4 |
| Synonyms | Benzoic acid,4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]; 4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid; 4-[(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoic acid; 4-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)carbonyl]benzoic acid; 3-Methyl-TTNCB; QC-1681; p-[3,5,5,8,8-pentamethyl-1,2,3,4-tetrahydro-2-naphthyl-(2-carbonyl)]benzoic acid; LG-100064 |
| Molecular Formula | C23H26O3 |
| Molecular Weight | 350.46 |
| Density | 1.095 |
| Boiling Point | 491.367ºC at 760 mmHg |
| Storage Condition | room temperature, dry |
| Application | LG-100064 is a retinoid-X-receptor (RXR) agonist with EC50 values of 330 nM, 200 nM and 260 nM for RXRα, RXRβ and RXRγ respectively; LG-100064 can be used in cancer research. |
| HTC | 2918300090 |
| PubChem ID | 14900843 |
| MDL Number | MFCD13191327 |
| SMILES | Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C |
| InChI | InChI=1S/C23H26O3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24)15-6-8-16(9-7-15)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26) |
| InChI Key | QADGBOQVBUXZKO-UHFFFAOYSA-N |
| MSDS | msds/70311_1_153559_46_7.pdf |
| Use of | Properties Name 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid Synonym More Synonyms LG-100064 Biological Activity Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> RAR/RXR Research Areas >> Cancer EC50: 330 nM (RXRα), 200 nM (RXRβ), 260 nM (RXRγ)[1] In Vitro LG-100064 (3-Methyl-TTNCB) is a retinoid-X-receptor (RXR) agonist, with EC50s of 330 nM, 200 nM, and 260 nM for RXRα, RXRβ and RXRγ. LG-100064 shows no effect on RARα/β/γ (EC50, >10000 nM)[1]. References [1]. Marcus F. Boehm, et al. Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors. Chemical & Physical Properties Molecular Formula C23H26O3 Exact Mass 350.18800 PSA 54.37000 LogP 5.27320 Index of Refraction 1.558 InChIKey QADGBOQVBUXZKO-UHFFFAOYSA-N Safety Information Hazard Codes Xi HS Code 2918300090 Synthetic Route Methyl 4-[(5,6,... CAS#:153559-45-6 CAS#:153559-46-7 Literature: Faul; Ratz; Sullivan; Trankle; Winneroski Journal of Organic Chemistry, 2001 , vol. 66, # 17 p. 5772 - 5782 mono-methyl_ter... CAS#:1679-64-7 1,1,4,4,6-PENTA... CAS#:6683-48-3 CAS#:1349659-51-3 CAS#:153559-46-7 1,1,4,4,6-PENTA... CAS#:6683-48-3 CAS#:153559-46-7 Literature: Journal of Organic Chemistry, , vol. 66, # 17 p. 5772 - 5782 Precursor & DownStream Precursor 6 CAS#:153559-45-6 Methyl 4-[(5,6,... CAS#:1679-64-7 mono-methyl_ter... CAS#:6683-48-3 1,1,4,4,6-PENTA... CAS#:110-03-2 2,5-Dimethyl-2,... DownStream 0 |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives. Supervision conditions:None. VAT: 17.0%. Tax rebate rate:9.0%. MFN tariff: 6.5%. General tariff:30.0% |
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