Basic information
- CAS
176708-42-2- Standard SMILES
COc1ccc(S(=O)(=O)Nc2ccccc2CN(C)CC=Cc2ccc(Cl)cc2)cc1- InChIKey
RUAOVVIUGUOYHA-UHFFFAOYSA-N- Molecular formula
- C24H25ClN2O3S
- Average molar mass
- 457 g/mol
- Monoisotopic mass
- 456.1274415
Names & identifiers
- Preferred name
- N-[2-[[3-(4-chlorophenyl)prop-2-enyl-methylamino]methyl]phenyl]-4-methoxybenzenesulfonamide
- IUPAC
- N-[2-[[3-(4-chlorophenyl)prop-2-enyl-methylamino]methyl]phenyl]-4-methoxybenzenesulfonamide
- English name
- KN92
- Molecular formula
- C24H25ClN2O3S
- Molecular weight
- 456.99
Names & synonyms
2-[n-(4-methoxybenzenesulfonyl)]amino-n-(4-chlorocinnamyl)-n-methylbenzylamineC24H25ClN2O3Sorb1689978SCHEMBL3277670DTXSID201117278AKOS030235413N-[2-[[3-(4-chlorophenyl)prop-2-enyl-methylamino]methyl]phenyl]-4-methoxybenzenesulfonamideN-[2-[[3-(4-chlorophenyl)allyl-methyl-amino]methyl]phenyl]-4-methoxy-benzenesulfonamideN-[2-({[3-(4-Chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-4-methoxybenzene-1-sulfonamideN-[2-[[[3-(4-Chlorophenyl)-2-propen-1-yl]methylamino]methyl]phenyl]-4-methoxybenzenesulfonamideK92K 92
Show more names
KN-92 free baseKN-92KN 92KN92N-[2-[[[(E)-3-(4-CHLOROPHENYL)PROP-2-ENYL]-METHYLAMINO]METHYL]PHENYL]-4-METHOXYBENZENESULFONAMIDEBenzenesulfonamide, N-[2-[[[3-(4-chlorophenyl)-2-propen-1-yl]methylamino]methyl]phenyl]-4-methoxy-
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 650
Physicochemical properties
- Boiling point
- 602.1 · 602.1±65.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 15.1 mg/mL · ≥ 15.1 mg/mL in DMSO, ≥ 24.2 mg/mL in EtOH with gentle warming
- form
- Solid
- pka
- 8.49 · 8.49±0.10(Predicted)
- color
- White to off-white
Chemistry & industry
Applications
UsesKN-92 is an inactive derivative of KN-93, without CaM kinase inhibitory activity. KN-92 is intended to be used as a control compound in studies designed to elucidate the antagonist activities of KN-93. KN-93 is a cell-permeable, reversible and competitive CaMKII inhibitor[1][2].
Suppliers35 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
Related reactions
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Compound notes
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