1033214-90-2

Basic information

• Product Name: 2,1,3-Benzothiadiazole-1(3H)-propanol, 3-(2-fluorophenyl)-α-[(MethylaMino)Methyl]-, 2,2-dioxide, (αS)-
• Synonyms: 2,1,3-Benzothiadiazole-1(3H)-propanol, 3-(2-fluorophenyl)-α-[(MethylaMino)Methyl]-, 2,2-dioxide, (αS)-;(2S)-4-[3-(2-fluorophenyl)-2,2-dioxo-2$l^{6},1,3-benzothiadiazol-1-yl]-1-(methylamino)butan-2-ol
• CAS NO: 1033214-90-2
• Molecular Formula: C₁₇H₂₀FN₃O₃S
• Molecular Weight: 365.4224032
• Mol File: 1033214-90-2.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2,1,3-Benzothiadiazole-1(3H)-propanol, 3-(2-fluorophenyl)-α-[(MethylaMino)Methyl]-, 2,2-dioxide, (αS)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2,1,3-Benzothiadiazole-1(3H)-propanol, 3-(2-fluorophenyl)-α-[(MethylaMino)Methyl]-, 2,2-dioxide, (αS)-(1033214-90-2)
• EPA Substance Registry System: 2,1,3-Benzothiadiazole-1(3H)-propanol, 3-(2-fluorophenyl)-α-[(MethylaMino)Methyl]-, 2,2-dioxide, (αS)-(1033214-90-2)

Safety Data

• Hazardous Substances Data: 1033214-90-2(Hazardous Substances Data)

Usage

Structure

Contains benzothiadiazole, fluorophenyl, and methylamino functional groups

Benzothiadiazole

A five-membered heterocyclic ring with sulfur and nitrogen atoms.

Fluorophenyl

A phenyl group (six-membered ring with carbon and hydrogen atoms) with a fluorine atom substitution.

Methylamino

An amino group (-NH2) with a methyl group (-CH3) attached.
3. Propanol and 2,2-dioxide moieties

Propanol

An alcohol group (-OH) attached to a three-carbon chain.

2,2-dioxide

A peroxide group (-O-O-) with two oxygen atoms connected to the same carbon.

Stereochemistry

(αS)configuration

Chiral center

A carbon atom bonded to four different groups, causing the molecule to have non-superimposable mirror images (enantiomers).

(αS)-

Indicates the absolute configuration of the chiral center, which can affect the compound's biological activity and properties.
5. Potential applications

Pharmaceuticals

The unique structure and functional groups may contribute to specific biological activities or interactions with target molecules.

Materials science

The compound's properties, such as solubility, stability, or reactivity, may make it suitable for use in the development of new materials or coatings.
6. Further research needed
To determine the specific properties and uses of this chemical compound, additional studies and investigations would be required. This may include examining its physical, chemical, and biological properties, as well as potential applications in various fields.

Upstream product

• 1033214-86-6 4-[3-(2-fluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-1-(methylamino)butan-2-ol 
• 1033226-01-5 C₁₆H₁₅FN₂O₃S 
• 74-89-5 methylamine 

Downstream Products

• 1161009-73-9 WYE-103231 

Relevant articles and documents

Discovery of novel selective norepinephrine reuptake inhibitors: 4-[3-Aryl-2,2-dioxido-2,1,3-benzothiadiazol-1(3 H)-yl]-1-(methylamino)butan-2- ols (WYE-103231)

Structural modification of a virtual screening hit led to the identification of a new series of 4-[3-aryl-2,2-dioxido-2,1,3-benzothiadiazol- 1(3H)-yl]-1-(methylamino)butan-2-ols which are potent and selective inhibitors of the norepinephrine transporter over both the serotonin and dopamine transporters. One representative compound S-17b (WYE-103231) had low nanomolar hNET potency (IC50 = 1.2 nM) and excellent selectivity for hNET over hSERT (>1600-fold) and hDAT (>600-fold). S-17b additionally had a good pharmacokinetic profile and demonstrated oral efficacy in rat models of ovariectomized-induced thermoregulatory dysfunction and morphine dependent flush as well as the hot plate and spinal nerve ligation (SNL) models of acute and neuropathic pain.

ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE

The present invention is directed to aryl sulfamide derivatives of formula (I): or a pharmaceutically acceptable salt, stereoisomer or tautomer thereof, which are monoamine reuptake inhibitors, compositions containing these derivatives, and methods of their use for the prevention and treatment of conditions, including, inter alia, vasomotor symptoms, sexual dysfunction, gastrointestinal disorders and genitourinary disorder, depression disorders, endogenous behavioral disorders, cognitive disorders, diabetic neuropathy, pain, and other diseases or disorders.