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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
Assay:
≥98% (HPLC)
Form:
powder
Storage condition:
desiccated
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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

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

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