1.0 2011-09-21 00:08:35 UTC 2025-11-19 02:40:51 UTC FDB022106 4-Phenylbutanoic acid 4-phenylbutyrate (4-PBA) is known to be a transcriptional regulator, and sodium-4-PBA has been shown to induce fetal hemoglobin, and it has been used in clinical trials for sickle cell anemia and &#946;-thalassemia Because gene expression profiles became more differentiated, it is in phase I trials in several different malignant disorders. The potential for therapeutic benefit in cystic fibrosis (CF) resides in an additional mechanism, involving protein folding and the ER environment. 4-PBA is a drug that was developed to treat elevated blood ammonia in urea cycle disorders, a histone deacetylase inhibitor that promotes mutation &#916;F508 cystic fibrosis transmembrane conductance regulator (CFTR) trafficking. (PMID 12458151) [HMDB] 4-PHENYL-butanoate 4-PHENYL-butanoIC ACID 4-Phenyl-butyrate 4-Phenyl-butyric acid 4-Phenyl-n-butyrate 4-Phenyl-n-butyric acid 4-Phenylbutanoate 4-Phenylbutanoic acid 4-Phenylbutyrate 4-Phenylbutyric acid Benzenebutanoate Benzenebutanoic acid Benzenebutyrate Benzenebutyric acid g-Phenyl-butyrate g-Phenyl-butyric acid g-Phenyl-N-butyrate g-Phenyl-N-butyric acid g-Phenylbutanoate g-Phenylbutanoic acid g-Phenylbutyrate g-Phenylbutyric acid gamma-Phenyl-butyrate gamma-Phenyl-butyric acid gamma-Phenyl-N-butyrate gamma-Phenyl-N-butyric acid gamma-Phenylbutanoate gamma-Phenylbutanoic acid gamma-Phenylbutyrate gamma-Phenylbutyric acid omega-Phenylbutanoate omega-Phenylbutanoic acid Omega-phenylbutyrate Omega-phenylbutyric acid PBA w-Phenylbutanoate w-Phenylbutanoic acid γ-phenyl-N-butyrate γ-phenyl-N-butyric acid γ-phenylbutyrate γ-phenylbutyric acid C10H12O2 164.2011 164.083729628 4-phenylbutanoic acid 4-phenylbutyric acid 1821-12-1 OC(=O)CCCC1=CC=CC=C1 InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) OBKXEAXTFZPCHS-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound monocarboxylic acid Solid logp 2.29 ALOGPS logs -2.51 ALOGPS solubility 5.13e-01 g/l ALOGPS logp 2.5 ChemAxon pka_strongest_acidic 4.81 ChemAxon iupac 4-phenylbutanoic acid ChemAxon average_mass 164.2011 ChemAxon mono_mass 164.083729628 ChemAxon smiles OC(=O)CCCC1=CC=CC=C1 ChemAxon formula C10H12O2 ChemAxon inchi InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) ChemAxon inchikey OBKXEAXTFZPCHS-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 46.57 ChemAxon polarizability 17.99 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 1412 Specdb::MsIr 620 Specdb::MsIr 621 Specdb::MsIr 622 Specdb::NmrTwoD 1356 Specdb::CMs 9145 Specdb::CMs 29680 Specdb::CMs 37610 Specdb::CMs 99579 Specdb::CMs 165524 Specdb::CMs 1065598 Specdb::MsMs 761 Specdb::MsMs 762 Specdb::MsMs 763 Specdb::MsMs 264018 Specdb::MsMs 264019 Specdb::MsMs 264020 Specdb::MsMs 283947 Specdb::MsMs 283948 Specdb::MsMs 283949 Specdb::MsMs 2256306 Specdb::MsMs 2258290 Specdb::MsMs 2258341 Specdb::MsMs 2450809 Specdb::MsMs 2450810 Specdb::MsMs 2450811 Specdb::MsMs 2488686 Specdb::MsMs 2488687 Specdb::MsMs 2488688 HMDB00543 CLT #<Reference:0x000055ce316d1bb8> #<Reference:0x000055ce316d1a00> #<Reference:0x000055ce316d1848> #<Reference:0x000055ce316d15a0> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823