SML1465

UNC0379 trifluoroacetate salt

≥98% (HPLC)

• Synonim(y): 6,7-Dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)-pentyl)quinazolin-4-amine trifluoroacetate salt
• Wzór empiryczny (zapis Hilla): C₂₃H₃₅N₅O₂ · xC₂HF₃O₂
• Numer CAS: 1620401-83-3
• Masa cząsteczkowa: 413.56 (free base basis)
• NACRES: NA.77
• PubChem Substance ID: 329825899
• UNSPSC Code: 12352200
• MDL number: MFCD28167817
• Assay: ≥98% (HPLC)
• Form: powder
• Storage condition: desiccated

Właściwości

• assay: ≥98% (HPLC)
• form: powder
• storage condition: desiccated
• color: white to beige
• solubility: H₂O: 5 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: COC1=C(OC)C=C(N=C(N2CCCC2)N=C3NCCCCCN4CCCC4)C3=C1
• InChI: 1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
• InChI key: WEXCGGWTIDNVNT-UHFFFAOYSA-N

Opis

Biochem/physiol Actions

UNC0379 is the first substrate-competitive inhibitor of the lysine methyltransferase SETD8, the only known methyltransferase that catalyzes monomethylation of histone H4 lysine 20 (H4K20). HK420 methylation has been implicated in the regulation of a variety of biological processes including the DNA damage response. UNC0379 is selective for SETD8 over 15 other methyltransferases, with an IC₅₀ value of 7.3 μM for SETD8 compared to IC50 vlaues over 100 μM for other methyltransferases.

UNC0379 is the first substrate-competitive inhibitor of the lysine methyltransferase SETD8.

SETD8 expression is observed in cancers such as bladder cancer, chronic myelogenous leukemia, hepatocellular carcinoma, non‐small‐cell lung carcinoma, prostate cancer, small‐cell lung carcinoma. Therefore inhibition of SETD8 (SET‐domain containing protein) by UNC0379 might prevent the progression of cancer.

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Informacja o środkach bezpieczeństwa

• Klasa składowania: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable