ZCZ011 - ≥99% , CAS No.1998197-39-9

CAS: 1998197-39-9 Cat. No.: Z649303 Molecular Weight: 362.44 PubChem CID: 71819307

GRADE & PURITY ≥99%

Synonyms

NSC822447 | NSC-822447 | SCHEMBL17548442 | DTXSID801046384 | 1998197-39-9 | AKOS040749834 | Q27089284 | 6-methyl-3-(2-nitro-1-(thiophen-2-yl)ethyl)-2-phenyl-1H-indole | ZCZ 011 | GTPL9239 | ZCZ011 | ZCZ-011 | AKOS037652095 | HY-118140 | BDBM50513126 | 6-m

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

ZCZ011 is a potent and brain penetrant cannabinoid 1 (CB1) receptor positive allosteric modulator. ZCZ011 potentiates binding of CP55,940 to the CB1 receptor, enhances anandamide (AEA)-stimulated GTPγS binding in mouse brain membranes. ZCZ011 increases β-arrestin recruitment and ERK phosphorylation in hCB1 cells. ZCZ011 can be used for researching neuropathic and inflammatory pain

Form:Solid

IC50& Target:CB1

Specifications

Synonyms

NSC822447 | NSC-822447 | SCHEMBL17548442 | DTXSID801046384 | 1998197-39-9 | AKOS040749834 | Q27089284 | 6-methyl-3-(2-nitro-1-(thiophen-2-yl)ethyl)-2-phenyl-1H-indole | ZCZ 011 | GTPL9239 | ZCZ011 | ZCZ-011 | AKOS037652095 | HY-118140 | BDBM50513126 | 6-m

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

ZCZ011 is a potent and brain penetrant cannabinoid 1 (CB1) receptor positive allosteric modulator. ZCZ011 potentiates binding of CP55, 940 to the CB1 receptor, enhances anandamide (AEA)-stimulated GTPγS binding in mouse brain membranes. ZCZ011 increases β-

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.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=CC2=C(C=C1)C(=C(N2)C3=CC=CC=C3)C(C[N+](=O)[O-])C4=CC=CS4
• IUPAC Name: 6-methyl-3-(2-nitro-1-thiophen-2-ylethyl)-2-phenyl-1H-indole
• InChIKey: RJSPNRDBWHHFMH-UHFFFAOYSA-N
• INCHI: 1S/C21H18N2O2S/c1-14-9-10-16-18(12-14)22-21(15-6-3-2-4-7-15)20(16)17(13-23(24)25)19-8-5-11-26-19/h2-12,17,22H,13H2,1H3
• Isomeric SMILES: CC1=CC2=C(C=C1)C(=C(N2)C3=CC=CC=C3)C(C[N+](=O)[O-])C4=CC=CS4
• Alternate CAS: 1998197-39-9
• PubChem CID: 71819307
• MeSH Entry Terms: 6-methyl-3-(2-nitro-1-(thiophen-2-yl)propyl)-2-phenyl-1H-indole;ZCZ-011
• Molecular Weight: 362.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-phenylindoles
• Alternative Parents: Phenylpyrroles 3-alkylindoles Benzene and substituted derivatives Thiophenes Heteroaromatic compounds C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylindole - 2-phenylpyrrole - 3-alkylindole - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Thiophene - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group.
• 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)

CNR1 Tclin Cannabinoid receptor 1 (3 Activities)

Discover Target: CNR1

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

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

Discover Target: CNR1

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 362.400 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 362.109 Da
• Monoisotopic Mass: 362.109 Da
• Topological Polar Surface Area: 89.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 491.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1