ChemicalBook--->CAS DataBase List--->65836-72-8

65836-72-8

65836-72-8 Structure

65836-72-8 Structure
IdentificationBack Directory
[Name]

2-CHLORO-N-(3,4-DIMETHOXYBENZYL)ACETAMIDE
[CAS]

65836-72-8
[Synonyms]

DKM 2-93
Brn 2857211
CHEMBRDG-BB 9070724
N-(Dimethoxy-3,4 benzyl)-chloroacetamide
2-CHLORO-N-(3,4-DIMETHOXYBENZYL)ACETAMIDE
2-Chloro-N-((3,4-dimethoxyphenyl)methyl)acetamide
N-(Dimethoxy-3,4 benzyl)-chloroacetamide [french]
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]ethanamide
Acetamide, 2-chloro-N-((3,4-dimethoxyphenyl)methyl)-
2-chloro-N-(3,4-dimethoxybenzyl)acetamide(SALTDATA: FREE)
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C11H14ClNO3
[MDL Number]

MFCD01733639
[MOL File]

65836-72-8.mol
[Molecular Weight]

243.69
Chemical PropertiesBack Directory
[Melting point ]

116-118 °C(Solv: carbon tetrachloride (56-23-5))
[Boiling point ]

425.7±45.0 °C(Predicted)
[density ]

1.194±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : ≥ 150 mg/mL (615.54 mM)
[form ]

Solid
[pka]

13.42±0.46(Predicted)
[color ]

White to light yellow
Safety DataBack Directory
[Hazard Codes ]

Xi
[HazardClass ]

IRRITANT
Hazard InformationBack Directory
[Uses]

DKM 2-93 is a relatively selective inhibitor of UBA5 with an IC50 of 430 μM.
[Biological Activity]

DKM 2-93 is a relatively selective UBA5 inhibitor with IC50 value of 430 μM.
[in vitro]

Ubiquitin-like modifier activating enzyme 5 (UBA5) is a novel pancreatic cancer therapeutic target. DKM 2-93 impairs pancreatic cancer cell survival through covalently modifying the catalytic cysteine of UBA5, thereby inhibiting its activity as a protein that activates the ubiquitin-like protein UFM1 to UFMylate proteins. DKM 2-93 inhibits PaCa2 and Panc1 cells survival with IC 50 s of 90 and 30 μM, respectively.

[in vivo]

DKM 2-93 daily treatment significantly impairs tumor growth of PaCa2 cells in vivo in tumor xenograft studies in immune-deficient mice without causing any weight loss or overt toxicity.

[target]

IC50: 430 μM (UBA5), 90 μM (PaCa2 cells), 30 μM (Panc1 cells)

[References]

[1] Roberts AM, et al. Chemoproteomic Screening of Covalent Ligands Reveals UBA5 As a Novel Pancreatic Cancer Target. ACS Chem Biol. 2017 Apr 21;12(4):899-904. DOI:10.1021/acschembio.7b00020
Spectrum DetailBack Directory
[Spectrum Detail]

2-CHLORO-N-(3,4-DIMETHOXYBENZYL)ACETAMIDE(65836-72-8)1HNMR
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