NAcM-OPT - 10mM in DMSO , CAS No.2089293-61-6

CAS: 2089293-61-6 Cat. No.: N422536 Summenformel: C₂₃H₂₉Cl₂N₃O Molekulargewicht: 434.4

GRADE & PURITY 10mM in DMSO

Synonyms

N-(1-butyl-4-piperidinyl)-N'-(3,4-dichlorophenyl)-N-(phenylmethyl)urea | Urea,N-​(1-​butyl-​4-​piperidinyl)​-​N'-​(3,​4-​dichlorophenyl)​-​N-​(phenylmethyl)​-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

NAcM-OPT is a specific, reversible and orally bioavailable inhibitor of cullin neddylation 1 (DCN1) that targets N-Acetyl-UBE2M (E2 conjugating enzyme, UBC12) interaction with DCN1 with IC50 of 79 nM.

Targets

DCN1 (Cell-free assay) 79 nM

Application

NAcM-OPT inhibits N-Acetyl-mediated interaction between BE2M (E2 conjugating enzyme) and DCN1 (a component of E3 ligase complex). Also has inhibitory action on DCN2 and NEDD8 ubiquitin-like protein. Reduces anchorage-independent growth in DCN1-amplified cell line.

Specifications

Synonyme

N-(1-butyl-4-piperidinyl)-N'-(3,4-dichlorophenyl)-N-(phenylmethyl)urea | Urea,N-​(1-​butyl-​4-​piperidinyl)​-​N'-​(3,​4-​dichlorophenyl)​-​N-​(phenylmethyl)​-

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

NAcM-OPT is a specific, reversible and orally bioavailable inhibitor of cullin neddylation 1 (DCN1) that targets N-Acetyl-UBE2M (E2 conjugating enzyme, UBC12) interaction with DCN1 with IC50 of 79 nM.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

• Pubchem Sid: 528766244
• Kanonisches Lächeln: CCCCN1CCC(CC1)N(CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl
• IUPAC Name: 1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3,4-dichlorophenyl)urea
• InChIKey: VPHJABWIKCBGMC-UHFFFAOYSA-N
• INCHI: 1S/C23H29Cl2N3O/c1-2-3-13-27-14-11-20(12-15-27)28(17-18-7-5-4-6-8-18)23(29)26-19-9-10-21(24)22(25)16-19/h4-10,16,20H,2-3,11-15,17H2,1H3,(H,26,29)
• Isomere SMILES: CCCCN1CCC(CC1)N(CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl
• Molekulargewicht: 434.4
• Reaxy-Rn: 30997203
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30997203&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Dichlorobenzenes Piperidines Aryl chlorides Ureas Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-phenylurea - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Piperidine - Aryl halide - Aryl chloride - Urea - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 434.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 433.169 Da
• Monoisotopic Mass: 433.169 Da
• Topological Polar Surface Area: 35.600 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 493.000
• 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