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MS-177

CAT: 0013-GTR19210244-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210244-01Size:1 mg
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Description
MS-177 is a PROTAC-based EZH2 degrader that inhibits leukemia and multiple myeloma cell growth by inducing apoptosis and cell cycle arrest. It degrades both classical and non-classical EZH2 complexes, modulating pathways like WNT/β-catenin and activating immune-responsive genes, applicable for in vitro and in vivo cancer research.
CAS Number
2225938-86-1
Field of Research
Cell Biology, Epigenetics & Chromatin, Pharmacology & Drug Discovery
Smiles
O=C (NCC=1C (=O) NC (=CC1C) C) C2=CC (=CC3=C2C=NN3C (C) C) C=4C=NC (=CC4) N5CCN (CCNC (=O) CCOCCNC6=CC=CC=7C (=O) N (C (=O) C67) C8C (=O) NC (=O) CC8) CC5
Molecular Formula
C48H55N11O8
Molecular Weight
914.02
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(6-(4-(2-(3-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)propanamido)ethyl)piperazin-1-yl)pyridin-3-yl)-1-isopropyl-1H-indazole-4-carboxamide
CAS Number2225938-86-1
PubChem CID139413605
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoylamino]ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide
Molecular FormulaC48H55N11O8
Molecular Weight914.0
XLogP2.5
Topological Polar Surface Area229
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count17
Heavy Atom Count67
Formal Charge0
Complexity1950
SMILES
CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)CCNC(=O)CCOCCNC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O)C(C)C)C
InChI
InChI=1S/C48H55N11O8/c1-28(2)59-39-24-32(23-34(36(39)27-53-59)44(62)52-26-35-29(3)22-30(4)54-45(35)63)31-8-10-40(51-25-31)57-18-16-56(17-19-57)15-13-50-41(60)12-20-67-21-14-49-37-7-5-6-33-43(37)48(66)58(47(33)65)38-9-11-42(61)55-46(38)64/h5-8,10,22-25,27-28,38,49H,9,11-21,26H2,1-4H3,(H,50,60)(H,52,62)(H,54,63)(H,55,61,64)
InChIKey
LRMNSTSNSCJHGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(6-(4-(2-(3-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)propanamido)ethyl)piperazin-1-yl)pyridin-3-yl)-1-isopropyl-1H-indazole-4-carboxamide
CAS: 2225938-86-1
CID: 139413605
Formula: C48H55N11O8
MW: 914.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight914.0
XLogP32.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count17
Exact Mass913.42350776
Monoisotopic Mass913.42350776
Topological Polar Surface Area229 Ų
Heavy Atom Count67
Formal Charge0
Complexity1950
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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