ORIC-944

CAT: 0127-BUP18629-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP18629-05Size:100 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 Number	2369769-29-7
PubChem CID	155788096
IUPAC Name	8-[4-[(dimethylamino)methyl]-2-methylphenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
Molecular Formula	C26H25FN6O
Molecular Weight	456.5
XLogP	4.9
Topological Polar Surface Area	78.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	34
Formal Charge	0
Complexity	744

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

CAS: 2369769-29-7

CID: 155788096

Formula: C26H25FN6O

MW: 456.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	456.5
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	456.20738760
Monoisotopic Mass	456.20738760
Topological Polar Surface Area	78.5 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	744
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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