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CHEMISTRY
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27 Drugs in Development

27 Drugs in Development

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6 NEWS #PharmaBuzz

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Chemistry

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Also known as: Androgen receptor-in-2, Masofaniten [inn], 2416716-62-4, Oq2sf7p8b2, N-(4-((4-(2-(3-chloro-4-(2-chloroethoxy)-5-cyanophenyl)propan-2-yl)phenoxy)methyl)pyrimidin-2-yl)methanesulfonamide, Methanesulfonamide, n-(4-((4-(1-(3-chloro-4-(2-chloroethoxy)-5-cyanophenyl)-1-methylethyl)phenoxy)methyl)-2-pyrimidinyl)-

Molecular Formula

C₂₄H₂₄Cl₂N₄O₄S

Molecular Weight

535.4 g/mol

InChI Key

GVCZSODXLFBYSS-UHFFFAOYSA-N

FDA UNII

OQ2SF7P8B2

1 2D Structure

Masofaniten

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-[[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]methanesulfonamide

2.1.2 InChI

InChI=1S/C24H24Cl2N4O4S/c1-24(2,18-12-16(14-27)22(21(26)13-18)33-11-9-25)17-4-6-20(7-5-17)34-15-19-8-10-28-23(29-19)30-35(3,31)32/h4-8,10,12-13H,9,11,15H2,1-3H3,(H,28,29,30)

2.1.3 InChI Key

GVCZSODXLFBYSS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C1=CC=C(C=C1)OCC2=NC(=NC=C2)NS(=O)(=O)C)C3=CC(=C(C(=C3)Cl)OCCCl)C#N

2.2 Other Identifiers

2.2.1 UNII

OQ2SF7P8B2

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Androgen Receptor-in-2

2. Masofaniten [inn]

3. 2416716-62-4

4. Oq2sf7p8b2

5. N-(4-((4-(2-(3-chloro-4-(2-chloroethoxy)-5-cyanophenyl)propan-2-yl)phenoxy)methyl)pyrimidin-2-yl)methanesulfonamide

6. Methanesulfonamide, N-(4-((4-(1-(3-chloro-4-(2-chloroethoxy)-5-cyanophenyl)-1-methylethyl)phenoxy)methyl)-2-pyrimidinyl)-

7. Methanesulfonamide, N-[4-[[4-[1-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]-1-methylethyl]phenoxy]methyl]-2-pyrimidinyl]-

8. N-(4-((4-(2-(3-chloro-4-(2-chloroethoxy)-5- Cyanophenyl)propan-2-yl)phenoxy)methyl)pyrimidin-2- Yl)methanesulfonamide

9. N-{4-[(4-{2-[3-chloro-4-(2-chloroethoxy)-5- Cyanophenyl]propan-2-yl}phenoxy)methyl]pyrimidin-2- Yl}methanesulfonamide

10. Masofaniten [usan]

11. Unii-oq2sf7p8b2

12. Chembl5095106

13. Schembl21854438

14. Epi7386

15. Epi-7386

16. Ms-29890

17. Hy-136582

18. Cs-0131867

19. F82723

2.4 Create Date

2020-06-27

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₄Cl₂N₄O₄S
Molecular Weight	535.4 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	123
Heavy Atom Count	35
Formal Charge	0
Complexity	823
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