Also known as: 211110-63-3, Gc-1, Qrx-431, Qrx 431, Chembl107400, Gc 1

Molecular Formula

C₂₀H₂₄O₄

Molecular Weight

328.4 g/mol

InChI Key

QNAZTOHXCZPOSA-UHFFFAOYSA-N

FDA UNII

XQ31741E9Q

Sobetirome is a thyroid hormone receptor isoform beta-1 liver-selective analog with antilipidemic and antiatherosclerotic activity. In animal models sobetirome reduced serum lipids, decreased cholesterol levels, and stimulated steps of reverse cholesterol transport, which promotes the reverse transport of cholesterol from atherogenic macrophages back to the liver for excretion. In humans, sobetirome lowered plasma LDL cholesterol and reduced plasma triglycerides, while its liver-selective activity helped avoid the side effects seen with many other thyromimetic agents.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetic acid

2.1.2 InChI

InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)

2.1.3 InChI Key

QNAZTOHXCZPOSA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCC(=O)O

2.2 Other Identifiers

2.2.1 UNII

XQ31741E9Q

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (3,5-dimethyl-4-(4'-hydoxy-3'-isopropylbenzyl)phenoxy)acetic Acid

2. Gc 1 Compound

3. Gc-1

4. Gc-1 Compound

5. Gc-1 Cpd

6. Qrx 431

7. Qrx-431

8. Qrx431

2.3.2 Depositor-Supplied Synonyms

1. 211110-63-3

2. Gc-1

3. Qrx-431

4. Qrx 431

5. Chembl107400

6. Gc 1

7. Chebi:79988

8. 2-(4-(4-hydroxy-3-isopropylbenzyl)-3,5-dimethylphenoxy)acetic Acid

9. Xq31741e9q

10. 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetic Acid

11. Sobetirome (usan)

12. Sobetirome [usan]

13. {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic Acid

14. Gc 1 Compound

15. Gc-1;qrx-431

16. [4-(4-hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-phenoxy]-acetic Acid

17. 2-[4-[[4-hydroxy-3-(1-methylethyl)phenyl]methyl]-3,5-dimethylphenoxy]acetic Acid

18. Acetic Acid, 2-[4-[[4-hydroxy-3-(1-methylethyl)phenyl]methyl]-3,5-dimethylphenoxy]-

19. 3imy

20. B72

21. Sobetirome [inn]

22. Sobetirome [usan:inn]

23. Sobetirome [who-dd]

24. Schembl282119

25. Unii-xq31741e9q

26. Gtpl2639

27. Dtxsid60891557

28. Gc-1; Qrx-431

29. Bcp23779

30. Bdbm50115668

31. Zinc13475083

32. Akos024458221

33. Cs-0956

34. Db07425

35. Bs-42167

36. Hy-14823

37. Db-066428

38. Ft-0735243

39. A15241

40. D09381

41. A905652

42. Q27088838

43. Gc-1; Gc1; Gc 1; Qrx-431; Qrx 431; Qrx431

44. 3,5-dimethyl-4-(4''-hydroxy-3''-isopropylbenzyl)phenoxyacetic Acid

45. [4-(4-hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-phenoxy]-acetic Acid(gc-1)

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₄O₄
Molecular Weight	328.4 g/mol
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	328.16745924 g/mol
Monoisotopic Mass	328.16745924 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	396
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Sobetirome

Sobetirome

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