Basic information
- CAS
163936-78-5- Standard SMILES
CC1Nc2ccc(Cl)cc2S(=O)(=O)N1- InChIKey
VZRNTCHTJRLTMU-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2O2S
- Average molar mass
- 232.69 g/mol
- Monoisotopic mass
- 232.0073264
Overview
7-chloro-3-methyl-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine 1,1-dioxide is a benzothiadiazine.
Names & identifiers
- Preferred name
- Idra 21
- IUPAC
- 7-chloro-3-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
- English name
- IDRA 21
- Molecular formula
- C8H9ClN2O2S
- Molecular weight
- 232.69
Names & synonyms
22503-72-6Idra-21idra 21689UW7PT68IDRA212H-1,2,4-Benzothiadiazine, 7-chloro-3,4-dihydro-3-methyl-, 1,1-dioxide7-chloro-3-methyl-3,4-dihydro-2H-1$l^(6),2,4-benzothiadiazine-1,1-dione7-chloro-3-methyl-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-1,1-dioneRefChem:7905687-Chloro-3-methyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide7-Chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxideMFCD00270874
Show more names
AMPAKINEDRA 21IDRA 21,98%IDRA-21 ，S2434IDRA-21, 10 mM in DMSOS-18986 IDRA-21 AMPAKINE7-CHLORO-3-METHYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE7-chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-...
7-Chloro-3,4-dihydro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide163936-78-5163936-79-67-Chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine S,S-dioxide7-chloro-3-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide7-Chloro-3,4-dihydro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-Dioxide;7-CHLORO-3-METHYL-3,4-DIHYDRO-2H-BENZO(E)(1,2,4)THIADIAZINE 1,1-DIOXIDE(+)-IDRA-21
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 209 °C · 209 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 405.1 · 405.1±55.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly, Sonicated)
- form
- Solid
- pka
- 9.78 · 9.78±0.40(Predicted)
- color
- Off-White to Pale Yellow
- InChI
- InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3
- InChIKey
- VZRNTCHTJRLTMU-UHFFFAOYSA-N
- SMILES
- S1(=O)(=O)C2=CC(Cl)=CC=C2NC(C)N1
- FDA UNII
- 689 UW7PT68 · 689UW7PT68
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesIDRA-21 is a benzothiadiazine derivative and a positive allosteric modulator of glutamate AMPA receptors (1,2,3,4). It is able to increase excitatory synaptic strength by inhibiting AMPA receptor desensitization. IDRA 21 may exhibit therapeutic effects to ameliorate memory deficits in patients with cognitive impairments such as Alzheimer''s disease.
UsesIDRA-21 inhibits AMPA receptor desensitization and enhances cognition by a related mechanism. IDRA-21 is more able to cross the blood-brain barrier than Cyclothiazide (C988960).
Upstream & downstream products
Upstream raw materials
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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