AM1241 - Moligand™, ≥98% , Agonist of CB 2 receptor, CAS No.444912-48-5, Agonist of CB 2 receptor

CAS: 444912-48-5 Cat. No.: A129838 Fórmula: C₂₂H₂₂IN₃O₃ Peso molecular: 503.33 Número CE: 636-937-2

GRAU & PUREZA Moligand™, ≥98%

Synonyms

(2-iodo-5-nitrophenyl)(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone|3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpiperidin-2-yl)methyl]-1H-indole|AM1241|AM-1241|1-((N-METHYL-2-PIPERIDINYL)METHYL)-3-(2-IODO-5-NITROBENZOYL)-1H-INDOLE|(R,S)-3-(2-Iodo-5-nitrobenzoyl)-1-(1-methyl-2-piperidinylmethyl)-1H-indole|AM 1241|METHANONE, (2-IODO-5-NITROPHENYL)(1-((1-METHYL-2-PIPERIDINYL)METHYL)-1H-INDOL-3-YL)-|3-(Benzyloxycarbonylamino)propyl bromide|1-napthylboronic acid|(1-(Methylpiperidin-2-ylmethyl)-3-(2-iodo-5-nitrobenzoyl)indole)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

AM-1241 is a selective cannabinoid CB2 receptor agonist with Ki of 3.4 nM, exhibits 82-fold selectivity over CB1 receptor.
(R,S)-AM1241, a selective CB2 cannabinoid receptor agonist, has been used to study neuropathic pain in animal models

Especificações

Sinónimos

(2-iodo-5-nitrophenyl)(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone | 3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpiperidin-2-yl)methyl]-1H-indole | AM1241 | AM-1241 | 1-((N-METHYL-2-PIPERIDINYL)METHYL)-3-(2-IODO-5-NITROBENZOYL)-1H-INDOLE | (R,S)-3-(2-Iodo-5-nitrobenzoyl)-1-(1-methyl-2-piperidinylmethyl)-1H-indole | AM 12 Show more

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

AM-1241 is a protean agonist of CB2 based on the different effect observed in various assays (calcium influx, extracellular signal-regulated kinase (ERK) phosphorylatin and cAMP measurement)) and on the switch from neutral antagonism to agonism in the cAM

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

AGONIST

Mecanismo de ação

Agonist of CB 2 receptor

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504765276

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765276

Sorrisos canónicos

CN1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])I

IUPAC Name

(2-iodo-5-nitrophenyl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone

InChIKey

ZUHIXXCLLBMBDW-UHFFFAOYSA-N

INCHI

1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3

SMILES isoméricas

CN1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])I

WGK Alemanha

3

CAS alternativo

444912-48-5

Termos de entrada MeSH

AM 1241;AM1241

Peso molecular

503.33

Reaxy-Rn

10599020

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10599020&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Benzoylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Benzoylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoylindoles
• Alternative Parents: Aryl-phenylketones Indolecarboxylic acids and derivatives N-alkylindoles Indoles Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Iodobenzenes Aryl iodides Substituted pyrroles Piperidines Vinylogous halides Heteroaromatic compounds Vinylogous amides Trialkylamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organoiodides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoylindole - Aryl-phenylketone - Indolecarboxylic acid derivative - N-alkylindole - Indole - Nitrobenzene - Benzoyl - Nitroaromatic compound - Aryl ketone - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Piperidine - Substituted pyrrole - Benzenoid - Vinylogous amide - Vinylogous halide - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Organic nitro compound - C-nitro compound - Ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzoylindoles. These are organic compounds containing an indole attached to a benzoyl moiety through the acyl 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

Alvos associados (humanos)

CNR2 Tchem Cannabinoid receptor 2 (12 Activities)

Discover Target: CNR2

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

CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)

Discover Target: CNR2

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO 101 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Peso molecular: 503.300 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 503.071 Da
• Monoisotopic Mass: 503.071 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 613.000
• 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