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Chemistry

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Also known as: Suvn-502, Masupirdine, 701205-60-9, Masupirdine (free base), 8xz281ao3g, 701205-60-9 (free base).
Molecular Formula
C21H24BrN3O3S
Molecular Weight
478.4  g/mol
InChI Key
GWCYPEHWIZXYFZ-UHFFFAOYSA-N
FDA UNII
8XZ281AO3G

Masupirdine
SUVN-502 is a novel, potent, safe, highly selective and orally active antagonist at a central nervous system serotonin receptor site 5-HT6 intended for treatment of cognitive disorders such as Alzheimers and Schizophrenia, an unmet medical need.
1 2D Structure

Masupirdine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2-bromophenyl)sulfonyl-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
2.1.2 InChI
InChI=1S/C21H24BrN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22/h3-8,13,15H,9-12,14H2,1-2H3
2.1.3 InChI Key
GWCYPEHWIZXYFZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4Br
2.2 Other Identifiers
2.2.1 UNII
8XZ281AO3G
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-((2-bromophenyl)sulfonyl)-5-methoxy-3-((4-methyl-1-piperazinyl)methyl)-1h-indole Dimesylate Monohydrate

2. Suvn-502

2.3.2 Depositor-Supplied Synonyms

1. Suvn-502

2. Masupirdine

3. 701205-60-9

4. Masupirdine (free Base)

5. 8xz281ao3g

6. 701205-60-9 (free Base).

7. Masupirdin

8. Masupirdine [inn]

9. Unii-8xz281ao3g

10. Schembl946320

11. Chembl4117187

12. Us11116764, Compound 1

13. Bdbm518688

14. 1-(2-bromophenyl)sulfonyl-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole

15. Db06140

16. Hy-109118

17. Cs-0078331

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 478.4 g/mol
Molecular Formula C21H24BrN3O3S
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass477.07218 g/mol
Monoisotopic Mass477.07218 g/mol
Topological Polar Surface Area63.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity650
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Investigated for use/treatment in neurologic disorders.


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Serotonin Antagonists

Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS. (See all compounds classified as Serotonin Antagonists.)


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