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1002801-51-5

1002801-51-5 Structure

1002801-51-5 Structure
IdentificationBack Directory
[Name]

4-Quinazolinamine, N-cyclohexyl-2-cyclopropyl-
[CAS]

1002801-51-5
[Synonyms]

4-Quinazolinamine, N-cyclohexyl-2-cyclopropyl-
[Molecular Formula]

C17H21N3
[MOL File]

1002801-51-5.mol
[Molecular Weight]

267.37
Chemical PropertiesBack Directory
[Boiling point ]

382.2±30.0 °C(Predicted)
[density ]

1?+-.0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble to 100 mM in DMSO and to 100 mM in ethanol
[form ]

Solid
[pka]

6.96±0.50(Predicted)
[color ]

White to off-white
[InChIKey]

ZQMGQZOHIDOPCQ-UHFFFAOYSA-N
[SMILES]

C1(N=C(C2CC2)N=C3NC4CCCCC4)=C3C=CC=C1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

TH10785 is a DNA glycosylase 1 (OGG1) activator, TH10785 can interact with the phenylalanine-319 and glycine-42 amino acids of OGG1 and increase the enzyme activity, generates β, δ-lyase enzymatic function. TH10785 can control the catalytic activity mediated by a nitrogen base within its molecular structure. TH10785 can be used for the research of various diseases and aging connected with DNA oxidative lesions[1].
[Biological Activity]

TH10785 is a DNA glycosylase 1 (OGG1) activator, TH10785 can interact with the phenylalanine-319 and glycine-42 amino acids of OGG1 and increase the enzyme activity, generates β, δ-lyase enzymatic function. TH10785 can control the catalytic activity mediated by a nitrogen base within its molecular structure. TH10785 can be used for the research of various diseases and aging connected with DNA oxidative lesions[1]. TH10785 (6.25 μM, 30 min) induces a de novo β, δ-elimination in vitro, allowing for AP sites as new substrates.TH10785 (10 μM, 0-2 min) allows OGG1 to increase DNA repair by addressing AP sites.TH10785 (0-20 μM, 72 h) induces OGG1 β, δ-lyase activity shifts cells toward PNKP1 dependence.TH10785 (2 μM) has affinity to OGG1 (KD=5.5 μM) increased when adding an AP site analog containing double-stranded DNA (KD=1.3 μM)[1].
[storage]

Store at -20°C
[References]

[1]. Maurice Michel, et al. Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function. Science. 2022 Jun 24;376(6600):1471-1476.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Quinazolinamine, N-cyclohexyl-2-cyclopropyl-(1002801-51-5)1HNMR
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