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1221485-83-1,MFCD22572738
Catalog No.:AA009CBZ
1221485-83-1 | Skepinone-L
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1mg
≥98%
1 week  
$119.00
- +
5mg
≥98%
1 week  
$383.00
- +
10mg
99%
1 week  
$599.00
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50mg
99%
1 week  
$1,539.00
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  • Technical Information
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Technical Information
Catalog Number:
AA009CBZ
Chemical Name:
Skepinone-L
CAS Number:
1221485-83-1
Molecular Formula:
C24H21F2NO4
Molecular Weight:
425.4246
MDL Number:
MFCD22572738
IUPAC Name:
13-(2,4-difluoroanilino)-5-[(2R)-2,3-dihydroxypropoxy]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
InChI:
InChI=1S/C24H21F2NO4/c25-16-4-8-23(22(26)10-16)27-17-5-7-20-15(9-17)2-1-14-3-6-19(11-21(14)24(20)30)31-13-18(29)12-28/h3-11,18,27-29H,1-2,12-13H2/t18-/m1/s1
InChI Key:
HXMGCTFLLWPVFM-GOSISDBHSA-N
SMILES:
OC[C@H](COc1ccc2c(c1)C(=O)c1ccc(cc1CC2)Nc1ccc(cc1F)F)O
Properties
Computed Properties
 
Complexity:
608  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
425.144g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
425.432g/mol
Monoisotopic Mass:
425.144g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Synonyms
 
CBS3830 
skepinone-L 
C24H21F2NO4 
AOB4016 
DTXSID30669907 
BCP04105 
EX-A2161 
BDBM50392175 
s7214 
ZINC82165247 
CS-0941 
HY-15300 
Skepinone-L 
SC-96737 
FT-0697448 
SW219942-1 
X5940 
W-5951 
(R)-2-((2,4-difluorophenyl)amino)-7-(2,3-dihydroxypropoxy)-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one 
2-(2,4-Difluoroanilino)-7-[(2R)-2,3-dihydroxypropoxy]-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one 
3FF 
CBS3830 
ACN-025769 
1221485-83-1 
A3824 
A11321 
C572387 
5H-Dibenzo[a,d]cyclohepten-5-one, 2-[(2,4-difluorophenyl)amino]-7-[(2R)-2,3-dihydroxypropoxy]-10,11-dihydro- 
Skepinone L 
CHEMBL2152944 
2-(2,4-Difluorophenylamino)-7-[2R-,3-dihydroxypropoxy]-10,11-dihydro-dibenzo[a,d]-cyclohepten-5-one 
2-[(2,4-Difluorophenyl)amino]-7-{[(2r)-2,3-Dihydroxypropyl]oxy}-10,11-Dihydro-5h-Dibenzo[a,D][7]annulen-5-One 
3que 
SCHEMBL2686103 
Literature

Title: C3 exoenzyme impairs cell proliferation and apoptosis by altering the activity of transcription factors.

Journal: Naunyn-Schmiedeberg's archives of pharmacology 20160101

Title: Design, synthesis, and biological evaluation of novel disubstituted dibenzosuberones as highly potent and selective inhibitors of p38 mitogen activated protein kinase.

Journal: Journal of medicinal chemistry 20120628

Title: Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor.

Journal: Nature chemical biology 20111225

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