Masupirdine

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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

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 Formula	C₂₁H₂₄BrN₃O₃S
Molecular Weight	478.4 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	477.07218 g/mol
Monoisotopic Mass	477.07218 g/mol
Topological Polar Surface Area	63.2 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	650
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 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.)