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FXR

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  1. Tauro-α-muricholic acid sodium salt
    Cas Number: 2260905-08-4
    Formula:  C26H44NO7S・Na        Molecular Weight: 537.68
    IUPAC Name:  sodium;2-[[(4R)-4-[(3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[show more
    SMILES:  CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C.[Na+]
    InChIKey: NYXROOLWUZIWRB-BAMGEBLESA-M
    InChI:  InChI=1S/C26H45NO7S.Na/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31;/h15-20,22-24,28,3show more
    Synonyms: N-(3α,6β,7α-Trihydroxy-5β-cholan-24-oyl)-taurine Sodium Salt
  2. Fexaramine, Agonist of Farnesoid X receptor
    Cas Number: 574013-66-4
    Formula:  C32H36N2O3        Molecular Weight: 496.64
    IUPAC Name:  methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoate
    SMILES:  CN(C)C1=CC=C(C=C1)C2=CC=C(C=C2)CN(C3=CC=CC(=C3)C=CC(=O)OC)C(=O)C4CCCCC4
    InChIKey: VLQTUNDJHLEFEQ-KGENOOAVSA-N
    InChI:  InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,show more
    Synonyms: 3-(3-((CYCLOHEXYLCARBONYL)-((4'-(DIMETHYLAMINO)-(1,1'-BIPHENYL)-4-YL)METHYL)AMINO)PHENYL)-2-PROPENOICACIDMETHYLESTER ...
  3. Lithocholic acid
    Cas Number: 434-13-9        EC Number: 207-099-1
    Formula:  C24H40O3        Molecular Weight: 376.57
    IUPAC Name:  (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentshow more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
    InChIKey: SMEROWZSTRWXGI-HVATVPOCSA-N
    InChI:  InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,show more
    Synonyms: NCGC00259417-01 | 3alpha-Hydroxy-5beta-cholanate | CCRIS 363 | 17-beta-(1-Methyl-3-carboxypropyl)ethiocholan-3-alpha-...
  4. Ursodeoxycholic acid(UDCA), Inhibitor of Sodium/bile acid and sulphated solute cotransporter 1
    Cas Number: 128-13-2        EC Number: 204-879-3
    Formula:  C24H40O4        Molecular Weight: 392.57
    IUPAC Name:  (4R)-4-[(3R,5S,7S,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]phenanthren-17-show more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    InChIKey: RUDATBOHQWOJDD-UZVSRGJWSA-N
    InChI:  InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-show more
    Synonyms: UDCS | 4-10-00-01604 (Beilstein Handbook Reference) | Lyeton | MFCD00003680 | URSODIOL [USP-RS] | UNII-724L30Y2QR | 3...
  5. Chenodeoxycholic acid, Agonist of Farnesoid X receptor;Antagonist of FPR1;Agonist of GPBA receptor
    Cas Number: 474-25-9
    Formula:  C24H40O4        Molecular Weight: 392.58
    IUPAC Name:  (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]phenanthren-17-show more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    InChIKey: RUDATBOHQWOJDD-BSWAIDMHSA-N
    InChI:  InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-show more
    Synonyms: (R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)p...
  6. BAR502
      Grade & Purity: 
    • ≥98%
    Cas Number: 1612191-86-2        Compound CID:  101886309
    Formula:  C25H44O3        Molecular Weight: 392.6
    IUPAC Name:  (3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentshow more
    SMILES:  CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCO)C)C)O
    InChIKey: HYCMOIGNYNCMRH-APIYUPOTSA-N
    InChI:  InChI=1S/C25H44O3/c1-5-17-21-14-16(27)8-11-25(21,4)20-9-12-24(3)18(15(2)10-13-26)6-7-19(24)22(20)23(17)28/h15-23,26-28H,5-14H2,1-4H3/t15-,16-,17-,18-,show more
  7. Chenodeoxycholic acid-2,2,4,4-d4
      Grade & Purity: 
    • ≥98 atom% D,≥98%
    Cas Number: 99102-69-9
    Formula:  C24H36D4O4        Molecular Weight: 396.6
    IUPAC Name:  (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]show more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    InChIKey: RUDATBOHQWOJDD-PSTGXAJBSA-N
    InChI:  InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-show more
    Synonyms: Cholan-24-oic-2,2,4,4-d4 acid, 3,7-dihydroxy-, (3a,5b,7a)- | Chenodeoxycholic Acid-d4 | Chenodeoxycholic acid-D4, 100...
  8. Chenodeoxycholic Acid-¹³C24
      Grade & Purity: 
    • CP
    • ≥98 atom% 13C,≥98%
    Cas Number: 52918-92-0
    Formula:  C23(13C)H40O4        Molecular Weight: 393.56
    IUPAC Name:  (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]phenanthren-17-show more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    InChIKey: RUDATBOHQWOJDD-NIOAGLPLSA-N
    InChI:  InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-show more
    Synonyms: Chenodiol 3alpha | 7alpha-Dihydroxy-5Beta-cholanic acid | 5Beta-Cholanic acid-3alpha
  9. Chenodeoxycholic acid, Bile acid receptor FXR agonist
    Cas Number: 474-25-9
    Formula:  C24H40O4        Molecular Weight: 392.58
    IUPAC Name:  (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]phenanthren-17-show more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    InChIKey: RUDATBOHQWOJDD-BSWAIDMHSA-N
    InChI:  InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-show more
    Synonyms: (R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)p...
  10. Fexaramine, Agonist of Farnesoid X receptor
    Cas Number: 574013-66-4
    Formula:  C32H36N2O3        Molecular Weight: 496.64
    IUPAC Name:  methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoate
    SMILES:  CN(C)C1=CC=C(C=C1)C2=CC=C(C=C2)CN(C3=CC=CC(=C3)C=CC(=O)OC)C(=O)C4CCCCC4
    InChIKey: VLQTUNDJHLEFEQ-KGENOOAVSA-N
    InChI:  InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,show more
    Synonyms: 3-(3-((CYCLOHEXYLCARBONYL)-((4'-(DIMETHYLAMINO)-(1,1'-BIPHENYL)-4-YL)METHYL)AMINO)PHENYL)-2-PROPENOICACIDMETHYLESTER ...
  11. Guggulsterone(pregna-4,17-diene-3,16-dione), Antagonist of Farnesoid X receptor
    Cas Number: 95975-55-6
    Formula:  C21H28O2        Molecular Weight: 312.45
    IUPAC Name:  (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
    SMILES:  CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
    InChIKey: WDXRGPWQVHZTQJ-OSJVMJFVSA-N
    InChI:  InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-show more
    Synonyms: AVQFHKYAVVQYQO-UHFFFAOYSA- | 6CST3U34GN | GUGGULSTERONE Z [USP-RS] | NCGC00260067-01 | Z/E-Guggulsterone | AC-28813 |...
  12. LY2562175, Bile acid receptor FXR agonist
      Grade & Purity: 
    • ≥99%
    Cas Number: 1103500-20-4
    Formula:  C28H27Cl2N3O4        Molecular Weight: 540.44
    IUPAC Name:  6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindole-3-carboxylic acid
    SMILES:  CN1C=C(C2=C1C=C(C=C2)N3CCC(CC3)OCC4=C(ON=C4C5=C(C=CC=C5Cl)Cl)C6CC6)C(=O)O
    InChIKey: RPVDFHPBGBMWID-UHFFFAOYSA-N
    InChI:  InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7show more
    Synonyms: SB19684 | 1103500-20-4 | AKOS040741985 | UNII-VVA2ZDV3LX | MS-29957 | TERN-101 | AC-36270 | RPVDFHPBGBMWID-UHFFFAOYSA...
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