CAS 65836-72-8|2-Chloro-N-(3,4-dimethoxybenzyl)acetamide

Introduction：Basic information about CAS 65836-72-8|2-Chloro-N-(3,4-dimethoxybenzyl)acetamide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	2-Chloro-N-(3,4-dimethoxybenzyl)acetamide
CAS Number	65836-72-8	Molecular Weight	243.68700
Density	1.194g/cm3	Boiling Point	425.7ºC at 760 mmHg
Molecular Formula	C₁₁H₁₄ClNO₃	Melting Point	/
MSDS	/	Flash Point	211.3ºC

Names

Name	2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide
Synonym	More Synonyms

BiologicalActivity

Description	DKM 2-93 is a relatively selective inhibitor of UBA5 with an IC50 of 430 μM.
Related Catalog	Signaling Pathways >>Metabolic Enzyme/Protease >>E1/E2/E3 EnzymeResearch Areas >>Cancer
Target	IC50: 430 μM (UBA5), 90 μM (PaCa2 cells), 30 μM (Panc1 cells)[1]
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 IC50s of 90 and 30 μM, respectively[1].
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[1].
Cell Assay	PaCa2 and Panc1 cells are treated with 0-1000 μM DKM 2-93 for 48 hours. Cell viability is assessed by Hoescht stain[1].
Animal Admin	Mice: Mice are subcutaneously injected with PaCa2 cells to initiate the tumor xenograft study and treatments of mice are initiated with vehicle or DKM 2-93 (50 mg/kg ip, once per day) three days after injection of cancer cells[1].
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.

Chemical & Physical Properties

Density	1.194g/cm3
Boiling Point	425.7ºC at 760 mmHg
Molecular Formula	C₁₁H₁₄ClNO₃
Molecular Weight	243.68700
Flash Point	211.3ºC
Exact Mass	243.06600
PSA	47.56000
LogP	1.94970
Index of Refraction	1.522
InChIKey	CETPWRGZGWGPSV-UHFFFAOYSA-N
SMILES	COc1ccc(CNC(=O)CCl)cc1OC
Storage condition	2-8℃

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AB5429210

CHEMICAL NAME :: Acetamide, 2-chloro-N-((3,4-dimethoxyphenyl)methyl)-

CAS REGISTRY NUMBER :: 65836-72-8

BEILSTEIN REFERENCE NO. :: 2857211

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H14-Cl-N-O3

MOLECULAR WEIGHT :: 243.71

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 41,457,1983

Safety Information

Hazard Codes	Xi
HS Code	2924299090

Customs

HS Code	2924299090
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Synonyms

Chlor-essigsaeure-veratrylamid

N-chloroacetyl-3,4-dimethoxybenzylamine

C-Chlor-N-veratryl-acetamid

2-chloro-N-(3,4-dimethoxybenzyl)acetamide

chloro-acetic acid veratrylamide

N-(3.4-Dimethoxy-benzyl)-chloracetamid

2-Chloro-N-((3,4-dimethoxyphenyl)methyl)acetamide

N-(Dimethoxy-3,4 benzyl)-chloroacetamide [French]

Acetamide,2-chloro-N-((3,4-dimethoxyphenyl)methyl)

N-Chloracetyl-(3,4-dimethoxyphenyl)methylamin

DKM 2-93

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