Basic information
- CAS
587850-67-7- Standard SMILES
Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1- InChIKey
BYWZPUPRVIECEC-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2S
- Average molar mass
- 276.36 g/mol
- Monoisotopic mass
- 276.09324893
Names & identifiers
- Preferred name
- 4-amino-N-(2-phenylethyl)benzenesulfonamide
- IUPAC
- 4-amino-N-(2-phenylethyl)benzenesulfonamide
- English name
- 4-Amino-N-(2-phenylethyl)benzenesulfonamide
- Molecular formula
- C14H16N2O2S
- Molecular weight
- 276.35
Names & synonyms
587850-67-74-amino-N-(2-phenylethyl)benzenesulfonamideDTXSID10356803RefChem:1070307DTXCID803078624-amino-N-phenethylbenzenesulfonamideC7280948C-7280948MFCD037166504-amino-N-(2-phenylethyl)benzene-1-sulfonamideCHEMBL1269351C 7280948
Show more names
CS-1909AKOS BBB/007C7280948, >98%ASISCHEM B51558C-7280948, 10 mM in DMSOC 7280948, PRMT1 inhibitor4-AMINO-N-PHENETHYL-BENZENESULFONAMIDE
[(4-aminophenyl)sulfonyl](2-phenylethyl)amineCambridge id 7280948Benzenesulfonamide, 4-amino-N-(2-phenylethyl)-orb1224567orb1306490SCHEMBL3849081EX-A310BYWZPUPRVIECEC-UHFFFAOYSA-N
Database identifiers
- CAS
587850-67-7- PubChem CID
- 833539
- DTXSID
DTXSID10356803- ChEMBL
CHEMBL1269351- Nikkaji
- J3.413.697A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 143 ℃ · 143℃
- Boiling point
- 481.1 · 481.1±55.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 2 O; · insoluble in H2O; insoluble in EtOH; ≥13.9 mg/mL in DMSO
- form
- solid
- pka
- 12.47 · 12.47±0.50(Predicted)
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Chemistry & industry
Applications
UsesC-7280948 is a selective and potent protein methyltransferase1 (PRMT1) inhibitor with an IC50 value of 12.75 μM[1].
Upstream & downstream products
Upstream raw materials
Suppliers79 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海波以尔化工有限公司[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
欧利希（湖北）医药科技有限公司
Related reactions
2 records
Compound notes
Loading…