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MK-0752

CAT: 0804-HY-10974-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10974-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MK-0752 is a potent, orally active and specific γ-secretase inhibitor, showing dose-dependent reduction of Aβ40 with an IC50 of 5 nM in human SH-SY5Y cells. MK-0752 crosses the blood-brain barrier. MK-0752 reduces newly generated CNS Aβ in vivo[1][2].
CAS Number
471905-41-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
γ-secretase
Type
Reference compound
Related Pathways
Neuronal Signaling; Stem Cell/Wnt
Applications
Cancer-programmed cell death
Field of Research
Neurological Disease; Cancer
Assay Protocol
https://www.medchemexpress.com/MK-0752.html
Purity
99.35
Solubility
DMSO : ≥ 100 mg/mL|Ethanol : 10 mg/mL (ultrasonic)
Smiles
O=S([C@@]1(C2=C(C=CC(F)=C2)F)CC[C@@H](CCC(O)=O)CC1)(C3=CC=C(Cl)C=C3)=O
Molecular Formula
C21H21ClF2O4S
Molecular Weight
442.90
Precautions
H302, H315, H319, H335
References & Citations
[1]Cook JJ, et al. Acute gamma-secretase inhibition of nonhuman primate CNS shifts amyloid precursor protein (APP) metabolism from amyloid-beta production to alternative APP fragments without amyloid-beta rebound. J Neurosci. 2010;30 (19) :6743-6750.|[2]Krop I, et al. Phase I pharmacologic and pharmacodynamic study of the gamma secretase (Notch) inhibitor MK-0752 in adult patients with advanced solid tumors. J Clin Oncol. 2012;30 (19) :2307-2313.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 4

Chemical Information

Mk-0752

Mk 0752 is under investigation in clinical trial NCT00572182 (MK0752 in Treating Young Patients With Recurrent or Refractory CNS Cancer).

CAS Number471905-41-6
PubChem CID9803433
IUPAC Name3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propanoic acid
Molecular FormulaC21H21ClF2O4S
Molecular Weight442.9
XLogP4.7
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity665
SMILES
C1CC(CCC1CCC(=O)O)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl
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)
InChIKey
XCGJIFAKUZNNOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mk-0752
CAS: 471905-41-6
CID: 9803433
Formula: C21H21ClF2O4S
MW: 442.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.9
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass442.0817143
Monoisotopic Mass442.0817143
Topological Polar Surface Area79.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity665
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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FM101546-01MK 0752

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