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ET bromodomain inhibitor , CAS No.E610198, Inhibitor of bromodomain containing 2

COA

Grade & Purity:

Moligand™

PubChem CID: 86277843

In stock

Item Number

E610198

Grouped product items
SKU	Size	Availability	Price	Qty
E610198-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$600.90
E610198-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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bromodomain containing 2 Inhibitor (15)

Basic Description

Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of bromodomain containing 2

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzodiazepines
    - Subclass 1,4-benzodiazepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzodiazepines
Subclass	1,4-benzodiazepines
Intermediate Tree Nodes	Not available
Direct Parent	1,4-benzodiazepines
Alternative Parents	Anisoles Alkyl aryl ethers Fatty acid esters Chlorobenzenes Aryl chlorides Triazoles Methyl esters Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,4-benzodiazepine - Anisole - Phenol ether - Alkyl aryl ether - Halobenzene - Fatty acid ester - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Fatty acyl - 1,2,4-triazole - Methyl ester - Heteroaromatic compound - Azole - Ketimine - Carboxylic acid ester - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Imine - Organohalogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
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)

BRD2 Tchem Bromodomain-containing protein 2 (0 Activities)

Discover Target: BRD2

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

Mechanisms of Action

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

Names and Identifiers

IUPAC Name	methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate
INCHI	InChI=1S/C23H23ClN4O3/c1-5-17(23(29)31-4)21-22-27-26-13(2)28(22)19-11-10-16(30-3)12-18(19)20(25-21)14-6-8-15(24)9-7-14/h6-12,17,21H,5H2,1-4H3/t17-,21+/m1/s1
InChIKey	WGMDCNPABCIZCD-UTKZUKDTSA-N
Smiles	COC(=O)[C@@H]([C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)CC
Isomeric SMILES	CC[C@H]([C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C)C(=O)OC
PubChem CID	86277843

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

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