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Tinoridine

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Chemistry

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Also known as: 24237-54-5, Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, Nonflamin (free base), Tinoridine [inn], Y 3642, Y-3642

Molecular Formula

C₁₇H₂₀N₂O₂S

Molecular Weight

316.4 g/mol

InChI Key

PFENFDGYVLAFBR-UHFFFAOYSA-N

FDA UNII

C9Z9ICZ7YR

Tinoridine is under investigation in clinical trial NCT01224756 (Efficacy of Tinoridine in Treating Pain and Inflammation in Adults).

1 2D Structure

Tinoridine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

2.1.2 InChI

InChI=1S/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3

2.1.3 InChI Key

PFENFDGYVLAFBR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N

2.2 Other Identifiers

2.2.1 UNII

C9Z9ICZ7YR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno(2,3-c)-pyridine-3-carboxylic Acid Ethyl Ester

2. Nonflamin

3. Nonflamine

4. Tinoridin

5. Tinoridine Hydrochloride

6. Tinoridine Monohydrochloride

7. Y 3642

8. Y-3642

2.3.2 Depositor-Supplied Synonyms

1. 24237-54-5

2. Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

3. Nonflamin (free Base)

4. Tinoridine [inn]

5. Y 3642

6. Y-3642

7. Nsc 158555

8. C9z9icz7yr

9. Nsc-158555

10. Ethyl 2-amino-6-benzyl-5,7-dihydro-4h-thieno[2,3-c]pyridine-3-carboxylate

11. Chembl592943

12. Dtxsid9023677

13. Tinoridine (inn)

14. 2-amino-3-ethoxycarbonyl-6-benzyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine

15. Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carboxylate

16. Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno-[2,3-c]pyridine-3-carboxylate

17. 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carboxylic Acid Ethyl Ester

18. Ncgc00159451-02

19. Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno [2,3-c]pyridine-3-carboxylate

20. Thieno(2,3-c)pyridine-3-carboxylic Acid, 2-amino-6-benzyl-4,5,6,7-tetrahydro-, Ethyl Ester

21. Thieno[2,3-c]pyridine-3-carboxylic Acid, 2-amino-4,5,6,7-tetrahydro-6-(phenylmethyl)-, Ethyl Ester

22. Dtxcid403677

23. Tinoridino

24. Tinoridinum

25. Tinoridinum [inn-latin]

26. Tinoridino [inn-spanish]

27. 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic Acid Ethyl Ester

28. Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (tinoridine)

29. Thieno(2,3-c)pyridine-3-carboxylic Acid, 2-amino-4,5,6,7-tetrahydro-6-(phenylmethyl)-, Ethyl Ester

30. Cas-24237-54-5

31. Einecs 246-102-0

32. Unii-c9z9icz7yr

33. Brn 1082341

34. Tinoridine [mi]

35. Maybridge2_000001

36. Cbmicro_018439

37. 2-amino-3-aethoxycarbonyl-6-benzyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridin

38. 2-amino-3-aethoxycarbonyl-6-benzyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridin [german]

39. Tinoridine [who-dd]

40. Oprea1_041651

41. Oprea1_798781

42. Schembl24761

43. Mls004774001

44. Chebi:135353

45. Pfenfdgyvlafbr-uhfffaoysa-n

46. Hms1303a01

47. Bcp12825

48. Ccg-6706

49. Tox21_111678

50. Bdbm50304470

51. Mfcd00401417

52. Nsc158555

53. Akos000267028

54. Tox21_111678_1

55. Db13001

56. Hy-w032848

57. 2-amino-6-benzyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic Acid Ethyl Ester

58. Idi1_001041

59. Thieno(2,3-c)pyridine-3-carboxylic Acid, 4,5,6,7-tetrahydro-2-amino-6-benzyl-, Ethyl Ester

60. Ncgc00159451-03

61. Ncgc00159451-04

62. Ncgc00159451-05

63. Ncgc00159451-06

64. Ac-27457

65. As-35595

66. Smr000103196

67. Bim-0018431.p001

68. Cs-0076872

69. Ft-0645518

70. Ns00027593

71. En300-03920

72. D08602

73. J-015409

74. J-524972

75. Sr-01000644920-1

76. Q27275368

77. Z56176137

78. F1673-2635

79. Thieno[2, 2-amino-6-benzyl-4,5,6,7-tetrahydro-, Ethyl Ester

80. Ethyl 2-amino-6-benzyl-4h,5h,6h,7h-thieno[2,3-c]pyridine-3-carboxylate

81. Thieno[2, 2-amino-4,5,6,7-tetrahydro-6-(phenylmethyl)-, Ethyl Ester

82. Ethyl 2-amino-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

83. Ethyl 2-amino-6-benzyl-5, 7-dihydro-4h-thieno[2, 3-c]pyridine-3-carboxylate

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₀N₂O₂S
Molecular Weight	316.4 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	83.8
Heavy Atom Count	22
Formal Charge	0
Complexity	387
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Inflammatory Agents, Non-Steroidal

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)

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