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MS1943

CAT: 1410-M21747-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M21747-04Size:10 mg
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Description
MS1943 is a first-in-class, orally bioavailable EZH2 selective degrader, with an IC50 of 120 nM.
CAS Number
2225938-17-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
718.93
Molecular Formula
C₄₂H₅₄N₈O₃
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

6-(6-(4-(2-(2-(Adamantan-1-yl)acetamido)ethyl)piperazin-1-yl)pyridin-3-yl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-1H-indazole-4-carboxamide
CAS Number2225938-17-8
PubChem CID139211327
IUPAC Name6-[6-[4-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
Molecular FormulaC42H54N8O3
Molecular Weight718.9
XLogP5.7
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count53
Formal Charge0
Complexity1410
SMILES
CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)CCNC(=O)CC67CC8CC(C6)CC(C8)C7)C(C)C)C
InChI
InChI=1S/C42H54N8O3/c1-26(2)50-37-18-33(17-34(36(37)25-46-50)40(52)45-24-35-27(3)13-28(4)47-41(35)53)32-5-6-38(44-23-32)49-11-9-48(10-12-49)8-7-43-39(51)22-42-19-29-14-30(20-42)16-31(15-29)21-42/h5-6,13,17-18,23,25-26,29-31H,7-12,14-16,19-22,24H2,1-4H3,(H,43,51)(H,45,52)(H,47,53)
InChIKey
WQIQJFXBAJJKNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(6-(4-(2-(2-(Adamantan-1-yl)acetamido)ethyl)piperazin-1-yl)pyridin-3-yl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-1H-indazole-4-carboxamide
CAS: 2225938-17-8
CID: 139211327
Formula: C42H54N8O3
MW: 718.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight718.9
XLogP35.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass718.43188761
Monoisotopic Mass718.43188761
Topological Polar Surface Area124 Ų
Heavy Atom Count53
Formal Charge0
Complexity1410
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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BA2769-25MS1943
A23910-50MS1943 50mg
A23910-10MS1943 10mg
A23910-5MS1943 5mg
A23910-1MS1943 1mg

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