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YM281

CAT: 0931-T74440-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T74440-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2230914-84-6
Target
Others, Histone Methyltransferase, Apoptosis
Related Pathways
Others, Apoptosis, Chromatin/Epigenetic
Bioactivity
YM281, a potent EZH2 inhibitor, promotes cell apoptosis and induces cell cycle arrest at the G0/G1 phase, demonstrating antitumor effects in vivo. This compound holds promise for lymphoma research [1].
Smiles
CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1
Molecular Formula
C56H71N7O9S
Molecular Weight
1018.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 135147352
CAS Number2230914-84-6
PubChem CID135147352
IUPAC Name(2S,4R)-1-[(2S)-2-[[2-[3-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl(oxan-4-yl)amino]-4-methylphenyl]phenoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC56H71N7O9S
Molecular Weight1018.3
XLogP7
Topological Polar Surface Area229
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count21
Heavy Atom Count73
Formal Charge0
Complexity1940
SMILES
CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)OCCCOCC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C
InChI
InChI=1S/C56H71N7O9S/c1-9-62(42-19-23-70-24-20-42)47-27-41(26-45(36(47)4)52(66)58-30-46-34(2)25-35(3)60-53(46)67)39-15-17-44(18-16-39)72-22-10-21-71-32-49(65)61-51(56(6,7)8)55(69)63-31-43(64)28-48(63)54(68)57-29-38-11-13-40(14-12-38)50-37(5)59-33-73-50/h11-18,25-27,33,42-43,48,51,64H,9-10,19-24,28-32H2,1-8H3,(H,57,68)(H,58,66)(H,60,67)(H,61,65)/t43-,48+,51-/m1/s1
InChIKey
HBGYJNIDFUPUJQ-DDGSYWGGSA-N
Chemical Structure
2D Structure
2D structure of CID 135147352
CAS: 2230914-84-6
CID: 135147352
Formula: C56H71N7O9S
MW: 1018.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1018.3
XLogP37
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count21
Exact Mass1017.50339804
Monoisotopic Mass1017.50339804
Topological Polar Surface Area229 Ų
Heavy Atom Count73
Formal Charge0
Complexity1940
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-145762YM281

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