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Merck
CN

SML1465

UNC0379 trifluoroacetate salt

≥98% (HPLC)

Synonym(s):

6,7-Dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)-pentyl)quinazolin-4-amine trifluoroacetate salt

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About This Item

Empirical Formula (Hill Notation):
C23H35N5O2 · xC2HF3O2
CAS Number:
1620401-83-3
Molecular Weight:
413.56 (free base basis)
NACRES:
NA.77
PubChem Substance ID:
329825899
UNSPSC Code:
12352200
MDL number:
MFCD28167817

Key Documents

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Product Name

UNC0379 trifluoroacetate salt, ≥98% (HPLC)

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)

SMILES string

COC1=C(OC)C=C(N=C(N2CCCC2)N=C3NCCCCCN4CCCC4)C3=C1

InChI key

WEXCGGWTIDNVNT-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

H2O: 5 mg/mL, clear

storage temp.

2-8°C

Quality Level

100

Biochem/physiol Actions

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.
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.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000463843
0000463843
0000459459
0000459459
0000225607

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Olivia G Dobbs et al.
BMC biology, 21(1), 175-175 (2023-08-15)
Cip1-interacting zinc finger protein 1 (CIZ1) forms RNA-dependent protein assemblies that stabilise epigenetic state, notable at the inactive X chromosome in females. CIZ1 has been linked with a range of human cancers and in mice genetic deletion of CIZ1 manifests
Dysregulation of protein methyltransferases in human cancer: an emerging target class for anticancer therapy.
Hamamoto R and Nakamura Y
Cancer Science, 107(4), 377-384 (2016)
Miku Wada et al.
Biomolecules, 10(12) (2020-12-20)
The histone methyltransferase SETD8, which methylates the lysine 20 of histone H4 (H4K20), is reportedly involved in human carcinogenesis along with nonhistone proteins such as p53. However, its expression profiles and functions in the context of high-grade serous ovarian carcinoma

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