3-(2-Naphthyl)benzoic Acid - CAS 168618-46-0
Catalog: |
BB058813 |
Product Name: |
3-(2-Naphthyl)benzoic Acid |
CAS: |
168618-46-0 |
Synonyms: |
3-(2-Naphthalenyl)benzoic Acid |
IUPAC Name: | 3-naphthalen-2-ylbenzoic acid |
Description: | 3-(2-Naphthyl)benzoic Acid is a reagent used in the synthesis of benzamide derivatives as human sirtuin 2 (SIRT2) inhibitor with anti-proliferative effect on cancer cells. |
Molecular Weight: | 248.28 |
Molecular Formula: | C17H12O2 |
Canonical SMILES: | C1=CC=C2C=C(C=CC2=C1)C3=CC(=CC=C3)C(=O)O |
InChI: | InChI=1S/C17H12O2/c18-17(19)16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,18,19) |
InChI Key: | QOPDOKREBSOVNG-UHFFFAOYSA-N |
References: | Sakai, T., et al. Bioorg. Med. Chem., 23, 328 (2015). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2018201565-A1 | Novel rexinoid compounds and methods of using rexinoid compounds for treating metabolic disorders and cancer | 20140630 |
WO-2016004066-A1 | Novel rexinoid compounds and methods of using rexinoid compounds for treating metabolic disorders and cancer | 20140630 |
EP-3160508-B1 | Novel rexinoid compounds and methods of using rexinoid compounds for treating metabolic disorders and cancer | 20140630 |
US-10800726-B2 | Rexinoid compounds and methods of using rexinoid compounds for treating metabolic disorders and cancer | 20140630 |
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WO-2008057543-A2 | Uii-modulating compounds and their use | 20061106 |
JP-2003236385-A | Water-soluble palladium catalyst and method for producing biaryls using the same | 20020218 |
CA-2163004-A1 | Guanidine derivatives as inhibitors of na+/h+ exchange in cells | 19930517 |
CN-1080257-C | Guanidine derivatives as inhibitors of Na+/H+ exchange in cells | 19930517 |
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Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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