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EEDi-5285

CAT: 0013-GTR19201924-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201924-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EEDi-5285 is a highly potent, orally bioavailable small molecule inhibitor of the Embryonic Ectoderm Development (EED) protein with an IC50 of 0.2 nM. It is a valuable chemical probe for studying PRC2 biology and has demonstrated anti-tumor efficacy in both cellular assays and in vivo cancer models.
CAS Number
2488952-40-3
Field of Research
Epigenetics & Chromatin
Purity
>99.99% (May vary between batches)
Smiles
CS (=O) (=O) c1ncn2c (NCc3c4CCOc4ccc3F) ncc (-c3ccc (nc3) C3CC3) c12
Molecular Formula
C24H22FN5O3S
Molecular Weight
479.53
Storage Conditions
-20°C
Notes
For research use only.

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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