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ORIC-944

CAT: 0127-BUP18629-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP18629-04Size:50 mg
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CAS Number
2369769-29-7
Synonyms
ORIC944
Purity
=98%
Smiles
N#CC=1N=C2C(=CN=C(NCC=3C(F)=CC=C4OCCC43)N2C1)C5=CC=C(C=C5C)CN(C)C

Chemical Information

8-(4-((Dimethylamino)methyl)-2-methylphenyl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile

Rinzimetostat is an orally bioavailable allosteric inhibitor of polycomb repressive complex 2 (PRC2), with potential antineoplastic activity. Upon oral administration, rinzimetostat targets and binds to the regulatory embryonic ectoderm development (EED) subunit of PRC2. This prevents the methyltransferase activity of PRC2, spefifically the methylation of histone 3 at lysine27 (H3K27). This depletes H3K27 trimethylation (H3K27me3) and modulates the expression of target genes. This may inhibit tumor cell proliferation. PRC2 is dysregulated in a variety of cancer cell types and is associated with poor prognosis. It is responsible for the methylation of H3K27 leading to transcriptional silencing. EED is essential for the histone methyltransferase activity of PRC2.

CAS Number2369769-29-7
PubChem CID155788096
IUPAC Name8-[4-[(dimethylamino)methyl]-2-methylphenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
Molecular FormulaC26H25FN6O
Molecular Weight456.5
XLogP4.9
Topological Polar Surface Area78.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity744
SMILES
CC1=C(C=CC(=C1)CN(C)C)C2=CN=C(N3C2=NC(=C3)C#N)NCC4=C(C=CC5=C4CCO5)F
InChI
InChI=1S/C26H25FN6O/c1-16-10-17(14-32(2)3)4-5-19(16)22-13-30-26(33-15-18(11-28)31-25(22)33)29-12-21-20-8-9-34-24(20)7-6-23(21)27/h4-7,10,13,15H,8-9,12,14H2,1-3H3,(H,29,30)
InChIKey
FLCIOLFIDGTRCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(4-((Dimethylamino)methyl)-2-methylphenyl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CAS: 2369769-29-7
CID: 155788096
Formula: C26H25FN6O
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass456.20738760
Monoisotopic Mass456.20738760
Topological Polar Surface Area78.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity744
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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