Basic information
- CAS
30827-99-7- Standard SMILES
Cl.NCCc1ccc(S(=O)(=O)F)cc1- InChIKey
WRDABNWSWOHGMS-UHFFFAOYSA-N- Molecular formula
- C8H11ClFNO2S
- Average molar mass
- 239.7 g/mol
- Monoisotopic mass
- 239.0183056
Overview
4-(2-aminoethyl)benzenesulfonyl fluoride hydrochloride is an organic molecular entity. It has a role as a serine protease inhibitor.
Names & identifiers
- Preferred name
- 4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride
- IUPAC
- 4-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride
- English name
- 4-(2-Aminoethyl)benzenesulfonylfluoride hydrochloride
- Molecular formula
- C8H11ClFNO2S
- Molecular weight
- 239.69
Names & synonyms
4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochlorideBenzenesulfonyl fluoride, 4-(2-aminoethyl)-, hydrochlorideDTXSID60184830RefChem:512185DTXCID0010732130827-99-7AEBSF HClAEBSF hydrochlorideAEBSFPefabloc SCPefabloc4-(2-Aminoethyl)benzenesulfonylfluoride hydrochloride
Show more names
CS-2583AEBSF HCIA8456-25MGPEFABLOC(R) SCAEBSF Solution
AEBSF, Hydrochloride4-(2-Aminoethyl)benzene-1-sulfonyl fluoride hydrochlorideAEBSF (hydrochloride)MFCD001329624-(2-Aminoethyl)benzenesulphonyl fluoride hydrochlorideDHA6VL95HLBenzenesulfonyl fluoride, 4-(2-aminoethyl)-, hydrochloride (1:1)4-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride
Database identifiers
- CAS
30827-99-7- PubChem CID
- 186136
- DTXSID
DTXSID60184830- ChEMBL
Properties
Computed structural properties
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 175 · 175-177 °C
- bulk density
- 200 kg/m3 · 200kg/m3
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: soluble50mg/mL (stable for up to six months if stored refrigerated at a pH of less than 7. If a pH of greater than 7 is required, pH adjustment should be made just prior to use.)
- form
- Powder
- color
- White
- PH
- 3 · pH3.0~5.0 (10g/L, 25℃)
- biological source
- synthetic (organic)
- Water Solubility
- 10 g/L · 10 g/L (20 ºC)
- Sensitive
- Moisture Sensitive
- BRN
- 7604627 · 7604627
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions at pH <7 are stable for up to 6 months if stored in the refrigerator
- InChI
- InChI=1S/C8H10FNO2S.ClH/c9-13(11,12)8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H
- InChIKey
- WRDABNWSWOHGMS-UHFFFAOYSA-N
- SMILES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationBenzenesulfonyl fluoride, 4-(2-aminoethyl)-, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 3
- ridadr
- UN 3261
- hs_code
- 29214990
- risk_code
- 34-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 45-36/37/39-26-36
- hazard_class
- 8
- Storage Class
- 12 - Non Combustible Liquids
- packing_group
- II
- Hazard statements
- H315-H319
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Applications
DescriptionAEBSF is a water soluble, irreversible, broad spectrum inhibitor of serine proteases, including trypsin, chymotrypsin, plasmin, thrombin, and kallikreins. AEBSF can also prevent the activation of the ROS generator, NADPH oxidase. At 10-50 μg, AEBSF can attenuate airway inflammation in a mouse model of airway allergy. AEBSF maintains stability in slightly acidic aqueous solutions and serves as a nontoxic alternative to the organophosphate inhibitors, PMSF and DFP.
UsesAEBSF is extensively used in studies aiming to describe cholesterol regulatory genes due to its potent ability to inhibit Site-1-protease (S1P). This serine protease, located in the Golgi apparatus, is responsible for activating the sterol regulatory element-binding proteins. By selectively inhibiting S1P, AEBSF can be used to characterize the downstream result of SREBP inhibition and its influence on cholesterol regulation.
UsesRecommended concentrations for use are 0.1-1 mM.
General DescriptionPefabloc SC is a trypsin inhibitor, which can be used in the synthesis of its arginine-like analogue, 4-(2-guanidinoethyl)benzenesulfonyl fluoride.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
四川星优天下医药科技有限公司18328380615 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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