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NAB2

CAT: 0804-HY-110174-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-110174-01Size:1 mg
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Description
NAB2 is a neuroprotectant that targets the small GTPase Rab1a. NAB2 selectively binds to the GDP-bound form of Rab1a and protects multiple cell types from α-synuclein toxicity by increasing Rab1a expression. Rab1a regulates ER-to-Golgi trafficking and mediates endosomal trafficking events of the E3 ubiquitin ligase Rsp5/Nedd4. NAB2 stimulates ubiquitination of related proteins in a Nedd4-dependent manner and rescues α-synuclein-associated trafficking defects associated with early-onset Parkinson's disease[1][2][3].
CAS Number
1504588-00-4
UNSPSC
12352005
Hazard Statement
H315-H319-H335
Target
α-synuclein
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/nab2.html
Purity
99.69
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC1=C(C=C(C)C=C1)N2C3=CC=C(C(NCC4=C(C=CC=C4)Cl)=O)C=C3N=C2
Molecular Formula
C23H20ClN3O
Molecular Weight
389.88
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501
References & Citations
[1]Tardiff DF, et al. Yeast reveal a "druggable" Rsp5/Nedd4 network that ameliorates α-synuclein toxicity in neurons. Science. 2013;342 (6161) :979-983.|[2]Hatstat AK, et al. Chemoproteomic-enabled characterization of small GTPase Rab1a as a target of an N-arylbenzimidazole ligand's rescue of Parkinson's-associated cell toxicity. RSC Chem Biol. 2021 Nov 9;3 (1) :96-111.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
α-synuclein

Chemical Information

N-((2-chlorophenyl)methyl)-1-(2,5-dimethylphenyl)-1H-1,3-benzodiazole-5-carboxamide

N-(2-chlorobenzyl)-1-(2,5-dimethylphenyl)benzimidazole-5-carboxamide is an aromatic amide obtained by the formal condensation of the carboxy group of 1-(2,5-dimethylphenyl)benzimidazole-5-carboxylic acid with the amino group of 2-chlorobenzylamine. It is a member of benzimidazoles, a monocarboxylic acid amide, an aromatic amide and a member of monochlorobenzenes.

CAS Number1504588-00-4
PubChem CID82017756
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)benzimidazole-5-carboxamide
Molecular FormulaC23H20ClN3O
Molecular Weight389.9
XLogP5.2
Topological Polar Surface Area46.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity544
SMILES
CC1=CC(=C(C=C1)C)N2C=NC3=C2C=CC(=C3)C(=O)NCC4=CC=CC=C4Cl
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
Chemical Structure
2D Structure
2D structure of N-((2-chlorophenyl)methyl)-1-(2,5-dimethylphenyl)-1H-1,3-benzodiazole-5-carboxamide
CAS: 1504588-00-4
CID: 82017756
Formula: C23H20ClN3O
MW: 389.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.9
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass389.1294900
Monoisotopic Mass389.1294900
Topological Polar Surface Area46.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity544
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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