G-protein coupled bile acid receptor 1 (GPBAR1)

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  1. GPBAR-A
    CAS: 877052-79-4 Formula: C23H15F7N2O2 Molecular Weight: 484.37
    Solid ≥98%
    In Stock Item #: G287908
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    Technical Identifiers
    IUPAC Name
    4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-fluorophenyl)-5H-pyrido[3,2-f][1,4]oxazepin-3-one
    SMILES
    C1C2=C(C=CN=C2OCC(=O)N1CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4F
    InChIKey
    ZIXNJVGTAXRKAP-UHFFFAOYSA-N
    InChI
    1S/C23H15F7N2O2/c24-19-4-2-1-3-17(19)16-5-6-31-21-18(16)11-32(20(33)12-34-21)10-13-7-14(22(25,26)27)9-15(8-13)23(28,29)30/h1-9H,10-12H2
    Synonyms
    4-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-6-(2-fluorophenyl)-4,5-dihydro-pyrido[3,2-f]-1,4-oxazepin-3(2H)-one
  2. β-Elemonic acid
    CAS: 28282-25-9 EC Number: 805-141-9 Formula: C30H46O3 Molecular Weight: 454.68
    In Stock Item #: E334593
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    IUPAC Name
    (2S)-6-methyl-2-[(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acishow more
    SMILES
    CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C)C(=O)O)C
    InChIKey
    XLPAINGDLCDYQV-SDTWUMECSA-N
    InChI
    1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,show more
    Synonyms
    BETA-ELEMONICACID | BDBM50039667 | (2S)-6-methyl-2-[(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,...
  3. Friedelin
    CAS: 559-74-0 EC Number: 209-205-1 Formula: C30H50O Molecular Weight: 426.72
    In Stock Item #: F331475
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    IUPAC Name
    (4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
    SMILES
    CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
    InChIKey
    OFMXGFHWLZPCFL-SVRPQWSVSA-N
    InChI
    1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24show more
    Synonyms
    24,25,26-Trinoroleanan-3-one, 5,9,13-trimethyl-,(4b,5b,8a,9b,10a,13a,14b)- | Friedelan-3-one | SR-05000002227-3 | 3-f...
  4. Cholic acid, Agonist of Farnesoid X receptor;Agonist of GPBA receptor
    CAS: 81-25-4 EC Number: 201-337-8 Formula: C24H40O5 Molecular Weight: 408.57
    Solid Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%
    In Stock Item #: C103692
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    Technical Identifiers
    IUPAC Name
    (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenantshow more
    SMILES
    CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey
    BHQCQFFYRZLCQQ-OELDTZBJSA-N
    InChI
    1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14show more
    Synonyms
    5b-Cholic acid | 5beta-Cholan-24-oic acid, 3alpha,7alpha,12alpha-trihydroxy- | cholicacid | cholic-acid | MFCD0000367...
  5. Lupenone
    CAS: 1617-70-5 EC Number: 834-243-6 Formula: C30H48O Molecular Weight: 424.72
    In Stock Item #: L343355
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    Technical Identifiers
    IUPAC Name
    (1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopeshow more
    SMILES
    CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C
    InChIKey
    GRBHNQFQFHLCHO-BHMAJAPKSA-N
    InChI
    1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,show more
    Synonyms
    Lup-20(30)-en-3-one | AKOS016009444 | C16990 | lupeone | AC-35031 | LUPENONE | MFCD00083578 | BDBM50241944 | A883058 ...
  6. Oleanolic acid, Agonist of GPBA receptor
    CAS: 508-02-1 EC Number: 208-081-6 Formula: C30H48O3 Molecular Weight: 456.7
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    In Stock Item #: O110088
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    Technical Identifiers
    IUPAC Name
    (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acshow more
    SMILES
    CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
    InChIKey
    MIJYXULNPSFWEK-GTOFXWBISA-N
    InChI
    1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,show more
    Synonyms
    Caryophyllin | OLEANOLIC_ACID | SMR000445561 | Oleanolic acid, analytical standard | OLEANOLIC ACID (CONSTITUENT OF H...
  7. Arjunolic acid
    CAS: 465-00-9 Formula: C30H48O5 Molecular Weight: 488.7
    In Stock Item #: A170471
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    Technical Identifiers
    IUPAC Name
    (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahshow more
    SMILES
    CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C
    InChIKey
    RWNHLTKFBKYDOJ-DDHMHSPCSA-N
    InChI
    1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6show more
    Synonyms
    (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,...
  8. Glycochenodeoxycholic acid, ABCB11
    CAS: 640-79-9 Formula: C26H43NO5 Molecular Weight: 449.62
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: G304255
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    Technical Identifiers
    IUPAC Name
    2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrenshow more
    SMILES
    CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    InChIKey
    GHCZAUBVMUEKKP-GYPHWSFCSA-N
    InChI
    1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,3show more
    Synonyms
    [(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetic acid | 451ZNJ667Y | ST 24:1;O3;G | DTXSID301020165 |...
  9. Glycohyodeoxycholic acid
    CAS: 13042-33-6 PubChem CID: 114611 Formula: C26H43NO5 Molecular Weight: 449.62
    In Stock Item #: G275371
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    Technical Identifiers
    IUPAC Name
    2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrenshow more
    SMILES
    CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C
    InChIKey
    SPOIYSFQOFYOFZ-BRDORRHWSA-N
    InChI
    1S/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(show more
    Synonyms
    Glycine Hyodeoxycholate | AKOS030254647 | GHDCA | CHEBI:166732 | HY-126995 | 2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,...
  10. Ursolic acid
    CAS: 77-52-1 EC Number: 201-034-0 Formula: C30H48O3 Molecular Weight: 456.70
    In Stock Item #: U107243
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    Technical Identifiers
    IUPAC Name
    (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carshow more
    SMILES
    CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
    InChIKey
    WCGUUGGRBIKTOS-GPOJBZKASA-N
    InChI
    1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,show more
    Synonyms
    CCG-208282 | 3.beta.-hydroxy-Urs-12-en-28-oic acid | 3beta-hydroxy-Urs-12-en-28-oic acid | 3beta-Hydroxyurs-12-en-28-...
  11. Ursolic acid
    CAS: 77-52-1 EC Number: 201-034-0 Formula: C30H48O3 Molecular Weight: 456.70
    In Stock Item #: U118635
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    Technical Identifiers
    IUPAC Name
    (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carshow more
    SMILES
    CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
    InChIKey
    WCGUUGGRBIKTOS-GPOJBZKASA-N
    InChI
    1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,show more
    Synonyms
    CCG-208282 | 3.beta.-hydroxy-Urs-12-en-28-oic acid | 3beta-hydroxy-Urs-12-en-28-oic acid | 3beta-Hydroxyurs-12-en-28-...
  12. REV 5901
    CAS: 101910-24-1 EC Number: 634-425-3 Formula: C22H25NO2 Molecular Weight: 335.44
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    Out of Stock Item #: L331173
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    IUPAC Name
    1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
    SMILES
    CCCCCC(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)O
    InChIKey
    JRLOEMCOOZSCQP-UHFFFAOYSA-N
    InChI
    1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
    Synonyms
    Benzenemethanol, alpha-pentyl-3-(2-quinolinylmethoxy)- | CHEBI:91821 | 1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hexan-1-ol...
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