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HMG-CoA Reductase (HMGCR)

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  1. , HMG-CoA reductase inhibitor
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    Simvastatin, HMG-CoA reductase inhibitor
    Cas Number: 79902-63-9        Compound CID:  54454
    Formula:  C25H38O5        Molecular Weight: 418.57
    IUPAC Name:  [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
    SMILES:  CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
    InChIKey: RYMZZMVNJRMUDD-HGQWONQESA-N
    InChI:  InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2show more
    Synonyms: BRN 4768037 | Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetra...
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    Simvastatin Ammonium Salt
      Grade & Purity: 
    • ≥95%
    Cas Number: 139893-43-9        Compound CID:  12967766
    Formula:  C25H43NO6        Molecular Weight: 453.61
    IUPAC Name:  (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid;azane
    SMILES:  CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)C.N
    InChIKey: FFPDWNBTEIXJJF-OKDJMAGBSA-N
    InChI:  InChI=1S/C25H40O6.H3N/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10show more
    Synonyms: Simvastatin acid (ammonium) | Tenivastatin ammonium salt | Simvastatin ammonium salt | 1-Naphthaleneheptanoic acid, 8...
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  3. , HMG-CoA reductase inhibitor
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    Fluvastatin Sodium, HMG-CoA reductase inhibitor
      Grade & Purity: 
    • ≥98%
    Cas Number: 93957-55-2        Compound CID:  23663976
    Formula:  C24H25FNNaO4        Molecular Weight: 433.45
    IUPAC Name:  sodium;(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate
    SMILES:  CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)[O-])O)O)C3=CC=C(C=C3)F.[Na+]
    InChIKey: ZGGHKIMDNBDHJB-NRFPMOEYSA-M
    InChI:  InChI=1S/C24H26FNO4.Na/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30;/h3-12,15,18-19,27-28H,13-14H2,1-2H3show more
    Synonyms: (Relative Stereochemistry) | Fluvastatin for system suitability | FLUVASTATIN SODIUM | W-105700 | (3R,5S,6E)-7-[3-(4-...
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    3-Hydroxy-3-methylpentane-1，5-dioic Acid
    Cas Number: 503-49-1
    Formula:  C6H10O5        Molecular Weight: 162.14
    IUPAC Name:  3-hydroxy-3-methylpentanedioic acid
    SMILES:  CC(CC(=O)O)(CC(=O)O)O
    InChIKey: NPOAOTPXWNWTSH-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
    Synonyms: Medroglutaric acid | (S)-3-Hydroxy-3-methylglutaric acid | BRN 1769194 | C03761 | Meglutol [USAN:INN] | BDBM50160720 ...
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    3α-Hydroxy Pravastatin Sodium Salt
    Cas Number: 81093-43-8        Compound CID:  45039495
    Formula:  C23H35NaO7        Molecular Weight: 446.51
    IUPAC Name:  sodium;(3R,5R)-7-[(1S,2R,3S,8S,8aR)-3-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
    SMILES:  CCC(C)C(=O)OC1CC=CC2=CC(C(C(C12)CCC(CC(CC(=O)[O-])O)O)C)O.[Na+]
    InChIKey: QMLCOLOJNAKCFF-JDXVWHIXSA-M
    InChI:  InChI=1S/C23H36O7.Na/c1-4-13(2)23(29)30-20-7-5-6-15-10-19(26)14(3)18(22(15)20)9-8-16(24)11-17(25)12-21(27)28;/h5-6,10,13-14,16-20,22,24-26H,4,7-9,11-1show more
    Synonyms: 3alpha-Hydroxy pravastatin (sodium) | 3'alpha-Isopravastatin sodium | 3alpha-Isopravastatin Sodium Salt | HY-136347 |...
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    di(Atorvastatin-d5) Calcium Salt
    Cas Number: 222412-82-0        Compound CID:  45358922
    Formula:  C₆₆H₆₀D₁₀CaF₂N₄O₁₀        Molecular Weight: 1167.42
    IUPAC Name:  calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
    SMILES:  CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]
    InChIKey: DYJKAHNDTTZSNX-ADFDHUHVSA-M
    InChI:  InChI=1S/C33H35FN2O5.Ca/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40show more
    Synonyms: (βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-(phenyl-d5)-4-[(phenylamino)carbonyl]-1H-pyrrole-1-hepta...
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    4′-Acetyl Simvastatin
      Grade & Purity: 
    • ≥95%
    Cas Number: 145576-25-6        Compound CID:  11812557
    Formula:  C27H40O6        Molecular Weight: 460.6
    IUPAC Name:  [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
    SMILES:  CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)OC(=O)C)C
    InChIKey: OHVWRJDVJRNCPE-BIKFJBPRSA-N
    InChI:  InChI=1S/C27H40O6/c1-7-27(5,6)26(30)33-23-13-16(2)12-19-9-8-17(3)22(25(19)23)11-10-20-14-21(31-18(4)28)15-24(29)32-20/h8-9,12,16-17,20-23,25H,7,10-11,show more
    Synonyms: ACETYL SIMVASTATIN [USP-RS] | Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(acetyloxy)tetrahydro-6...
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  8. , Inhibitor of hydroxymethylglutaryl-CoA reductase
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    Atorvastatin Lactone, Inhibitor of hydroxymethylglutaryl-CoA reductase
    Cas Number: 125995-03-1
    Formula:  C33H33FN2O4        Molecular Weight: 540.64
    IUPAC Name:  5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
    SMILES:  CC(C)C1=C(C(=C(N1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
    InChIKey: OUCSEDFVYPBLLF-KAYWLYCHSA-N
    InChI:  InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-27-19-26(37)20-28(38)40-27/h3show more
    Synonyms: 5-(4-Fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1H-py...
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    Lovastatin Diol Lactone
      Grade & Purity: 
    • ≥95%
    Cas Number: 79952-42-4
    Formula:  C19H28O4        Molecular Weight: 320.42
    IUPAC Name:  (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
    SMILES:  CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)O
    InChIKey: ZDFOBOYQVYMVCW-IRUSZSJRSA-N
    InChI:  InChI=1S/C19H28O4/c1-11-7-13-4-3-12(2)16(19(13)17(21)8-11)6-5-15-9-14(20)10-18(22)23-15/h3-4,7,11-12,14-17,19-21H,5-6,8-10H2,1-2H3/t11-,12-,14+,15+,16show more
    Synonyms: Monacolin J | Antibiotic MB 530A
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    Simvastatin-d6
      Grade & Purity: 
    • ≥99 atom% D,≥98%
    Cas Number: 1002347-71-8        Compound CID:  45040400
    Formula:  C25H32D6O5        Molecular Weight: 424.6
    IUPAC Name:  [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoashow more
    SMILES:  CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
    InChIKey: RYMZZMVNJRMUDD-QDGXURMLSA-N
    InChI:  InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2show more
    Synonyms: 2,2-(Dimethyl-d6)butanoic Acid(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro -3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydro...
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    24(R/S),25-epoxycholesterol
      Grade & Purity: 
    • ≥99%
    Cas Number: 72542-49-5
    Formula:  C27H44O2        Molecular Weight: 400.6
    IUPAC Name:  (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopentashow more
    SMILES:  CC(CCC1C(O1)(C)C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C
    InChIKey: OSENKJZWYQXHBN-PJXSLZQESA-N
    InChI:  InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19show more
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  12. , Inhibitor of hydroxymethylglutaryl-CoA reductase
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    Cerivastatin Lactone, Inhibitor of hydroxymethylglutaryl-CoA reductase
    Cas Number: 145599-86-6
    Formula:  C26H34FNO5        Molecular Weight: 459.55
    IUPAC Name:  (E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid
    SMILES:  CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)C=CC(CC(CC(=O)O)O)O
    InChIKey: SEERZIQQUAZTOL-ANMDKAQQSA-N
    InChI:  InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,show more
    Synonyms: AM91H2KS67 | CERIVASTATIN [WHO-DD] | 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)...
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