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NAcM-OPT - 99%, high purity , CAS No.2089293-61-6

COA

Grade & Purity:

≥99%

Cas Number: 2089293-61-6
Molecular Weight: 434.4
PubChem CID: 126711307
PubChem SID: 488202716

In stock

Item Number

N412335

Grouped product items
SKU	Size	Availability	Price
N412335-5mg	5mg	5	$53.90
N412335-10mg	10mg	5	$97.90
N412335-25mg	25mg	5	$220.90
N412335-50mg	50mg	4	$293.90
N412335-100mg	100mg	4	$489.90
N412335-250mg	250mg	3	$1,102.90

ADC Cytotoxin

View related series

Amino Acid/Protein Metabolism (1836) E1/E2/E3 Enzyme (112) Metabolic Enzyme/Protease (4860) NEDD8-activating Enzyme (9)

Basic Description

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)-
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	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 Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	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
Description	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
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

Associated Targets(Human)

DCUN1D1 Tchem DCN1-like protein 1 (2 Activities)

Discover Target: DCUN1D1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Liver (3974 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MGC-803 (6426 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DCUN1D1 Tchem DCN1-like protein 1 (571 Activities)

Discover Target: DCUN1D1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HCC95 (53 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasma (328 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488202716
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202716
IUPAC Name	1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3,4-dichlorophenyl)urea
INCHI	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)
InChIKey	VPHJABWIKCBGMC-UHFFFAOYSA-N
Smiles	CCCCN1CCC(CC1)N(CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl
Isomeric SMILES	CCCCN1CCC(CC1)N(CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl
Molecular Weight	434.4
Reaxy-Rn	30997203
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30997203&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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12 results found

Lot Number	Certificate Type	Date	Item
D23142139	Certificate of Analysis	Mar 07, 2023	N412335
D23142253	Certificate of Analysis	Mar 07, 2023	N412335
D23142268	Certificate of Analysis	Mar 07, 2023	N412335
D23142262	Certificate of Analysis	Mar 07, 2023	N412335
D23142233	Certificate of Analysis	Mar 07, 2023	N412335
D23142284	Certificate of Analysis	Mar 07, 2023	N412335
D23142240	Certificate of Analysis	Mar 07, 2023	N412335
D23142213	Certificate of Analysis	Mar 07, 2023	N412335
D23142229	Certificate of Analysis	Mar 07, 2023	N412335
D23142208	Certificate of Analysis	Mar 07, 2023	N412335
D23142142	Certificate of Analysis	Mar 07, 2023	N412335
D23142203	Certificate of Analysis	Mar 07, 2023	N412335

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Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 87 mg/mL (200.27 mM); Ethanol: 87 mg/mL (200.27 mM); Water: Insoluble;
Molecular Weight	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 Å²
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

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NAcM-OPT - 99%, high purity , CAS No.2089293-61-6

Basic Description

Taxonomic Classification

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Show more⌵

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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