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MK-0752

CAS No.:
471905-41-6
Catalog Number:
AG00DB6S
Molecular Formula:
C21H21ClF2O4S
Molecular Weight:
442.9038
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$133
- +
5mg
98%
1 week
United States
$387
- +
10mg
98%
1 week
United States
$489
- +
50mg
98%
1 week
United States
$1189
- +
100mg
98%
1 week
United States
$1771
- +
Product Description
Catalog Number:
AG00DB6S
Chemical Name:
MK-0752
CAS Number:
471905-41-6
Molecular Formula:
C21H21ClF2O4S
Molecular Weight:
442.9038
MDL Number:
MFCD21608529
IUPAC Name:
3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propanoic acid
InChI:
InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)
InChI Key:
XCGJIFAKUZNNOR-UHFFFAOYSA-N
SMILES:
OC(=O)CC[C@@H]1CC[C@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)Cl
UNII:
9JD9B4S53T
Properties
Complexity:
665  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.082g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
442.902g/mol
Monoisotopic Mass:
442.082g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Phase I trial of MK-0752 in children with refractory CNS malignancies: a pediatric brain tumor consortium study. Journal of clinical oncology : official journal of the American Society of Clinical Oncology 20110910
Determination of the gamma-secretase inhibitor MK-0752 in human plasma by online extraction and electrospray tandem mass spectrometry (HTLC-ESI-MS/MS). Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20100901
Determination of a novel gamma-secretase inhibitor in human plasma and cerebrospinal fluid using automated 96 well solid phase extraction and liquid chromatography/tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20080215
Properties