Basic information
- CAS
701205-60-9- Standard SMILES
COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br- InChIKey
GWCYPEHWIZXYFZ-UHFFFAOYSA-N- Molecular formula
- C21H24BrN3O3S
- Average molar mass
- 478.4 g/mol
- Monoisotopic mass
- 477.07218
Overview
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 Alzheimer’s and Schizophrenia, an unmet medical need.
Names & identifiers
- Preferred name
- Masupirdine
- IUPAC
- 1-(2-bromophenyl)sulfonyl-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
- English name
- Masupirdine free base
- Molecular formula
- C21H24BrN3O3S
- Molecular weight
- 478.4
Names & synonyms
MasupirdineSUVN-502701205-60-9masupirdina8XZ281AO3GmasupirdinumRefChem:1559711-(2-bromobenzenesulfonyl)-5-methoxy-3-((4-methylpiperazin-1-yl)methyl)-1H-indoleMasupirdine free baseMasupirdine (free base)1-((2-Bromophenyl)sulfonyl)-5-methoxy-3-((4-methylpiperazin-1-yl)methyl)-1H-indole1-(2-bromophenyl)sulfonyl-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
Show more names
Masupirdine free base, 10 mM in DMSO1H-Indole, 1-[(2-bromophenyl)sulfonyl]-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]-
CHEMBL4082473Masupirdin701205-60-9 (free base).Masupiridine free baseSUVN-502 free baseMASUPIRDINE [INN]UNII-8XZ281AO3GSCHEMBL946320
Database identifiers
- CAS
701205-60-9- PubChem CID
- 10073773
- DTXSID
DTXSID001376654
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 650
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 613.9 · 613.9±65.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 7.54 · 7.54±0.10(Predicted)
- FDA UNII
- 8 XZ281AO3G · 8XZ281AO3G
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
Applications
UsesMasupirdine free base (SUVN-502 free base) is a potent, selective, orally bioavailable, and brain penetrant 5-HT6 receptor antagonist (Ki of 2.04 nM for human 5-HT6 receptor). Masupirdine free base (SUVN-502 free base) shows high selectivity over 5-HT2A receptor and other 100 target sites, and has potential for treatment of Alzheimer's disease[1].
Suppliers11 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
济南深丽康化工科技有限公司0531-86092839 15318817273 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
苏州致信生物科技有限公司0512-65118909 18100677375 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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