DKM 2-93 - 10mM in DMSO , CAS No.65836-72-8

CAS: 65836-72-8 Cat. No.: D425322 Molecular Weight: 243.69 EC Number: 979-181-1

GRADE & PURITY 10mM in DMSO

Synonyms

DTXSID40216022 | SCHEMBL20456221 | 2-chloro-N-(3,4-dimethoxybenzyl)acetamide | 2-Chloro-N-(3,4-dimethoxy-benzyl)-acetamide | s5841 | EX-A3397 | BCP32598 | N-(Dimethoxy-3,4 benzyl)-chloroacetamide | HY-101836 | DKM 2-93 | 2-Chloro-N-((3,4-dimethoxyphenyl)m

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

DKM 2-93 DKM 2-93 is a relatively selective lead inhibitor of ubiquitin-like modifier activating enzyme 5 (UBA5) .

Targets

UBA5

In vitro

DKM 2-93 not only impairs pancreatic cancer cell survival in PaCa2, but also Panc1 cells with 50 % effective concentration values 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.

Cell Research(from reference)

Cell lines：PaCa2 and Panc1 pancreatic cancer cells 

Incubation Time：48 h 

Specifications

Synonyms

DTXSID40216022 | SCHEMBL20456221 | 2-chloro-N-(3, 4-dimethoxybenzyl)acetamide | 2-Chloro-N-(3, 4-dimethoxy-benzyl)-acetamide | s5841 | EX-A3397 | BCP32598 | N-(Dimethoxy-3, 4 benzyl)-chloroacetamide | HY-101836 | DKM 2-93 | 2-Chloro-N-((3, 4-dimethoxyphenyl)m

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

DKM 2-93 is a relatively selective lead inhibitor of ubiquitin-like modifier activating enzyme 5 (UBA5).

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: COC1=C(C=C(C=C1)CNC(=O)CCl)OC
• IUPAC Name: 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide
• InChIKey: CETPWRGZGWGPSV-UHFFFAOYSA-N
• INCHI: 1S/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
• Isomeric SMILES: COC1=C(C=C(C=C1)CNC(=O)CCl)OC
• Molecular Weight: 243.69
• Reaxy-Rn: 2857211
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2857211&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Alkyl aryl ethers Chloroacetamides Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Chloroacetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 243.680 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 243.066 Da
• Monoisotopic Mass: 243.066 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 225.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1