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NAB 2 , CAS No.1504588-00-4

COA

Cas Number: 1504588-00-4
Molecular Weight: 389.88
PubChem CID: 82017756

In stock

Item Number

N276306

Grouped product items
SKU	Size	Availability	Price	Qty
N276306-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$257.90
N276306-2.5mg	2.5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$484.90

Protects against alpha synuclein toxicity

View related series

Amino Acid/Protein Metabolism (1836)

Basic Description

Synonyms	alphaSYN inhibitor NAB2 \| alphaSYNINNAB2 \| alphaSYN-IN-NAB2 \| SCHEMBL16082488 \| alphaSYN inhibitor-NAB2 \| EN300-174351 \| N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)-1H-1,3-benzodiazole-5-carboxamide \| CS-0033038 \| NAB 2 \| Q27156175 \| 1504588-00-4 \|
Biochemical and Physiological Mechanisms	'Biological description': "Promotes Rsp5/Nedd4-dependent endosomal transport. Protects against α-synuclein toxicity. \xa0Reverses the α -synuclein-induced pathological phenotype in Parkinson's disease cortical neurons.", 'CAS Number': '1504588-00-4
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Shipped at Room Temperature. Store at Room Temperature.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzimidazoles
    - Subclass Phenylbenzimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzimidazoles
Subclass	Phenylbenzimidazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylbenzimidazoles
Alternative Parents	Phenylimidazoles p-Xylenes Chlorobenzenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylbenzimidazole - 1-phenylimidazole - P-xylene - Xylene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
External Descriptors	monocarboxylic acid amide - monochlorobenzenes - aromatic amide - benzimidazoles
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(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

IUPAC Name	N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)benzimidazole-5-carboxamide
INCHI	InChI=1S/C23H20ClN3O/c1-15-7-8-16(2)22(11-15)27-14-26-20-12-17(9-10-21(20)27)23(28)25-13-18-5-3-4-6-19(18)24/h3-12,14H,13H2,1-2H3,(H,25,28)
InChIKey	CZSLEMCYYGEGKP-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)C)N2C=NC3=C2C=CC(=C3)C(=O)NCC4=CC=CC=C4Cl
Isomeric SMILES	CC1=CC(=C(C=C1)C)N2C=NC3=C2C=CC(=C3)C(=O)NCC4=CC=CC=C4Cl
Molecular Weight	389.88
Reaxy-Rn	27489164
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27489164&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in DMSO to\xa0100 mM and in ethanol to\xa0100 mM
Molecular Weight	389.900 g/mol
XLogP3	5.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	389.129 Da
Monoisotopic Mass	389.129 Da
Topological Polar Surface Area	46.900 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	544.000
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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