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EEDi-5285

CAT: 0931-T22322-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T22322-02Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2488952-40-3
Target
Histone Methyltransferase
Related Pathways
Chromatin/Epigenetic
Purity
>99.99%
Bioactivity
EEDi-5285, an orally active and highly potent inhibitor targeting embryonic ectoderm development (EED) protein, exhibits anti-cancer activity. It demonstrates exceptional efficacy with an IC50 value of 0.2 nM, indicating robust binding affinity to the EED protein.
Smiles
CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(nc3)C3CC3)c12
Molecular Formula
C24H22FN5O3S
Molecular Weight
479.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-(6-cyclopropylpyridin-3-yl)-N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine
CAS Number2488952-40-3
PubChem CID146681126
IUPAC Name8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
Molecular FormulaC24H22FN5O3S
Molecular Weight479.5
XLogP3.8
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity839
SMILES
CS(=O)(=O)C1=C2C(=CN=C(N2C=N1)NCC3=C(C=CC4=C3CCO4)F)C5=CN=C(C=C5)C6CC6
InChI
InChI=1S/C24H22FN5O3S/c1-34(31,32)23-22-17(15-4-6-20(26-10-15)14-2-3-14)11-27-24(30(22)13-29-23)28-12-18-16-8-9-33-21(16)7-5-19(18)25/h4-7,10-11,13-14H,2-3,8-9,12H2,1H3,(H,27,28)
InChIKey
BMLWIABJRSYZDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(6-cyclopropylpyridin-3-yl)-N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine
CAS: 2488952-40-3
CID: 146681126
Formula: C24H22FN5O3S
MW: 479.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass479.14273892
Monoisotopic Mass479.14273892
Topological Polar Surface Area107 Ų
Heavy Atom Count34
Formal Charge0
Complexity839
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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Alternative Products

CatalogName
GTR19201924-01EEDi-5285
GTR19248952-01EEDi-5285 TFA (2488952-40-3 Free base)
HY-132922-01EEDi-5273

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