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4 Drugs in Development

4 Drugs in Development

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Also known as: 1572045-62-5, Rezvilutamide [inn], Unii-70fjn2aw22, 70fjn2aw22, Ariane, Shr3680

Molecular Formula

C₂₂H₂₀F₃N₃O₄S

Molecular Weight

479.5 g/mol

InChI Key

KRBMOYIWQCZVHA-INIZCTEOSA-N

FDA UNII

70FJN2AW22

SHR3680 is a small molecule drug with a maximum clinical trial phase of III (across all indications) and has 5 investigational indications.

1 2D Structure

Rezvilutamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

2.1.2 InChI

InChI=1S/C22H20F3N3O4S/c1-21(2)19(31)27(15-4-3-13(10-26)18(9-15)22(23,24)25)20(33)28(21)14-5-7-17(8-6-14)32-12-16(30)11-29/h3-9,16,29-30H,11-12H2,1-2H3/t16-/m0/s1

2.1.3 InChI Key

KRBMOYIWQCZVHA-INIZCTEOSA-N

2.2 Other Identifiers

2.2.1 UNII

70FJN2AW22

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1572045-62-5

2. Rezvilutamide [inn]

3. Unii-70fjn2aw22

4. 70fjn2aw22

5. Ariane

6. Shr3680

7. Rezvilutamide [who-dd]

8. 4-[3-[4-[(2s)-2,3-dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

9. Shr-3680

10. 4-(3-(4-((s)-2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile

11. Benzonitrile, 4-(3-(4-((2s)-2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-thioxo-1-imidazolidinyl)-2-(trifluoromethyl)-

12. Example 44 [wo2014036897a1]

13. Example 44 (wo2014036897a1)

14. 4-(3-(4-((2s)-2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile

15. Refchem:179043

16. Shr 3680

17. Androgen Receptor Antagonist Shr3680

18. Rezvilutamida

19. Orb1691608

20. Chembl4650276

21. Schembl15506490

22. Schembl29509762

23. Gtpl12798

24. Dtxsid001336581

25. Glxc-26908

26. Akos040756903

27. (s)-4-(3-(4-(2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile

28. Da-57412

29. Ms-28910

30. Hy-137448

31. Cs-0138653

32. G18393

2.4 Create Date

2015-02-13

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₀F₃N₃O₄S
Molecular Weight	479.5 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	129
Heavy Atom Count	33
Formal Charge	0
Complexity	791
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1