AC 1903 - Moligand™, ≥98%(HPLC) , Channel blocker of TRPC5, CAS No.831234-13-0, Channel blocker of TRPC5

CAS: 831234-13-0 Cat. No.: A287610 Molecular Weight: 303.36 EC Number: 820-119-9

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

EX-A4021 | 1-benzyl-N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine | cid_667146 | VU0217898-5 | N-(1-BENZYL-1H-1,3-BENZIMIDAZOL-2-YL)-N-(2-FURYLMETHYL)AMINE | (1-benzylbenzimidazol-2-yl)-(2-furfuryl)amine | SCHEMBL22619593 | BDBM49021 | AC 1903 | D95158 | E

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

AC1903 has been used as a drug candidate in a high-throughput agar colony formation assay to identify its therapeutic efficiency against medulloblastoma.

Specifications

Synonyms

EX-A4021 | 1-benzyl-N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine | cid_667146 | VU0217898-5 | N-(1-BENZYL-1H-1, 3-BENZIMIDAZOL-2-YL)-N-(2-FURYLMETHYL)AMINE | (1-benzylbenzimidazol-2-yl)-(2-furfuryl)amine | SCHEMBL22619593 | BDBM49021 | AC 1903 | D95158 | E

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Selective TRPC5 blocker (IC50= 13.6 μM). Also displays weak inhibition at TRPC4 (IC50>100 μM) but not TRPC6. Exhibits no effect against a standard panel of profiling kinases. Blocks TRPC5 channel activity in glomeruli of proteinuric rats. Suppresses sever

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

CHANNEL BLOCKER

Mechanism of action

Channel blocker of TRPC5

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504759804
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759804
• Canonical Smiles: C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NCC4=CC=CO4
• IUPAC Name: 1-benzyl-N-(furan-2-ylmethyl)benzimidazol-2-amine
• InChIKey: OECUWHDVQIITIS-UHFFFAOYSA-N
• INCHI: 1S/C19H17N3O/c1-2-7-15(8-3-1)14-22-18-11-5-4-10-17(18)21-19(22)20-13-16-9-6-12-23-16/h1-12H,13-14H2,(H,20,21)
• Isomeric SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NCC4=CC=CO4
• Molecular Weight: 303.36
• Reaxy-Rn: 32139785
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32139785&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Secondary alkylarylamines N-substituted imidazoles Benzene and substituted derivatives Aminoimidazoles Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Secondary aliphatic/aromatic amine - Aminoimidazole - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Furan - Imidazole - Oxacycle - Azacycle - Secondary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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

Associated Targets(Human)

TRPC5 Tchem Short transient receptor potential channel 5 (1 Activities)

Discover Target: TRPC5

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

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

TRPC5 Tchem Short transient receptor potential channel 5 (300 Activities)

Discover Target: TRPC5

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 15.17, Max Conc. mM: 50
• Molecular Weight: 303.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 303.137 Da
• Monoisotopic Mass: 303.137 Da
• Topological Polar Surface Area: 43.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 372.000
• 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