| Identification | Back Directory | [Name]
N,N′-(Sulfonyldi-4,1-phenylene)bis[2-(dicyclohexylamino)-acetamide dihydrochloride | [CAS]
2907-88-2 | [Synonyms]
NSC 37249 dihydrochloride
Acetamide, N,N′-(sulfonyldi-4,1-phenylene)bis[2-(dicyclohexylamino)-
Acetamide, N,N'-(sulfonyldi-4,1-phenylene)bis[2-(dicyclohexylamino)- (9CI)
N,N′-(Sulfonyldi-4,1-phenylene)bis[2-(dicyclohexylamino)-acetamide dihydrochloride
2-(dicyclohexylamino)-N-[4-[4-[[2-(dicyclohexylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide | [Molecular Formula]
C40H58N4O4S | [MDL Number]
MFCD31800417 | [MOL File]
2907-88-2.mol | [Molecular Weight]
690.98 |
| Chemical Properties | Back Directory | [Boiling point ]
876.3±65.0 °C(Predicted) | [density ]
1.21±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO: soluble20mg/mL, clear | [form ]
powder | [pka]
12.90±0.70(Predicted) | [color ]
white to beige | [InChIKey]
JQYJJPSTWWRURQ-UHFFFAOYSA-N | [SMILES]
[S](=O)(=O)(c4ccc(cc4)NC(=O)CN(C6CCCCC6)C5CCCCC5)c1ccc(cc1)NC(=O)CN(C3CCCCC3)C2CCCCC2 |
| Hazard Information | Back Directory | [Uses]
A sulfonyldiphenylene-bis-dicyclohexylaminoacetamide compound that acts as a potent and selective inhibitor against adenovirus AVP, the cysteine proteinase critical for virion assembly and maturation, by targeting simultaneously AVP co-factor pVIc (GVQSLKRRRCF) N-terminal binding pocket (Ki = 150 nM) and AVP-pVIc substrate-binding site (Ki = 400 nM), blocking not only AVP-pVIc active complex formation/AVP activation (IC50 = 140 nM; [substrate] = 5 µM & [pVIc] = 40 µM), but also AVP-pVIc active complex catalytic activity (IC50 = 490 nM; [substrate] = 5 µM). Does not affect the activity of the serine protease trypsin or the cysteine protease papain even at concentrations as high as 10 µM. | [Biological Activity]
Primary Target
AVP co-factor pVIc (GVQSLKRRRCF) N-terminal binding pocket''Reversible: yes''Secondary Target
AVP-pVIc substrate-binding site |
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| Company Name: |
Merck KGaA
|
| Telephone: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
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