Products for Research Use Only
RegisterLogin

MRK003

CAT: 0013-GTR19210958-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19210958-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
MRK003 is a γ-secretase inhibitor demonstrating potent preclinical activity against multiple myeloma and non-Hodgkin's lymphoma cell lines and patient samples. It induces caspase-dependent apoptosis, modulates key proteins like Notch, c-Myc, and Bcl-2 family members, and shows crosstalk with the PI3K/Akt pathway, supporting its use in oncology research for in vitro mechanism of action studies.
CAS Number
623165-93-5
Field of Research
Cell Biology, Neuroscience, Protein Biochemistry, Stem Cell & Developmental Biology
Smiles
C (C (F) (F) F) N1C[C@@]2 ([C@]3 (CC=4C (C[C@@]2 (CC3) [H]) =CC=C (/C=C/CN5CCC (C (F) (F) F) CC5) C4) [H]) NS1 (=O) =O
Molecular Formula
C25H31F6N3O2S
Molecular Weight
551.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mrk-003

MRK-003 is a potent and selective γ-secretase inhibitor developed by Merck. It is the preclinical analog of [MK-0752], a drug in clinical development.

CAS Number623165-93-5
PubChem CID15953832
IUPAC Name(1'R,4R,10'S)-2-(2,2,2-trifluoroethyl)-5'-[(E)-3-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
Molecular FormulaC25H31F6N3O2S
Molecular Weight551.6
XLogP5.3
Topological Polar Surface Area61
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity957
SMILES
C1C[C@@H]2CC3=C(C[C@H]1[C@]24CN(S(=O)(=O)N4)CC(F)(F)F)C=CC(=C3)/C=C/CN5CCC(CC5)C(F)(F)F
InChI
InChI=1S/C25H31F6N3O2S/c26-24(27,28)16-34-15-23(32-37(34,35)36)21-5-6-22(23)14-19-12-17(3-4-18(19)13-21)2-1-9-33-10-7-20(8-11-33)25(29,30)31/h1-4,12,20-22,32H,5-11,13-16H2/b2-1+/t21-,22+,23+/m0/s1
InChIKey
NKHUILHBYOOZDF-NCOIWELASA-N
Chemical Structure
2D Structure
2D structure of Mrk-003
CAS: 623165-93-5
CID: 15953832
Formula: C25H31F6N3O2S
MW: 551.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.6
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass551.20411739
Monoisotopic Mass551.20411739
Topological Polar Surface Area61 Ų
Heavy Atom Count37
Formal Charge0
Complexity957
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5811534MRK003

Popular Products