AM630 - Moligand™, 10mM in DMSO , Antagonist of CB 2 receptor, CAS No.164178-33-0, Antagonist of CB 2 receptor

CAS: 164178-33-0 Cat. No.: A422028 Summenformel: C₂₃H₂₅IN₂O₃ Molekulargewicht: 504.36 EG-Nummer: 803-134-5

QUALITÄT & REINHEIT Moligand™, 10mM in DMSO

Synonyms

{6-iodo-2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl}[4-(methyloxy)phenyl]methanone | HMS3412K03 | U1LNJ6NBKA | 1-[2-(morpholin-4-yl)ethyl]-2-methyl-3-(4-methoxybenzoyl)-6-iodoindole | AKOS015998968 | AM630 | AM-630 | JHOTYHDSLIUKCJ-UHFFFAOYSA-N | SC

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

AM-630 is a selective CB2 receptor antagonist that binds to CB1 and CB2 receptors with Ki values of 5.2 μM and 31.2 nM, respectively. AM630 has been shown to display 165-fold selectivity over CB1 receptors and behave as a weak partial/inverse agonist at CB1 receptors. AM-630 acts as an inverse agonist on cloned human CB1 receptors.
A selective CB2 receptor antagonist that binds to CB1 and CB2 receptors

Spezifikationen

Synonyme

{6-iodo-2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl}[4-(methyloxy)phenyl]methanone | HMS3412K03 | U1LNJ6NBKA | 1-[2-(morpholin-4-yl)ethyl]-2-methyl-3-(4-methoxybenzoyl)-6-iodoindole | AKOS015998968 | AM630 | AM-630 | JHOTYHDSLIUKCJ-UHFFFAOYSA-N | SC

Spezifikationen & Reinheit

Moligand™, 10mM in DMSO

Biochemische und physiologische Mechanismen

AM630 is a selectivity CB2 antagonist with Ki of 31.2 nM; > 150 fold selectivity over CB1 receptor. AM630 is a selective CB2 receptor antagonist that binds to CB1 and CB2 receptors with Ki values of 5.2 uM and 31.2 nM, respectively. AM630 has been shown t

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of CB 2 receptor

Namen und Kennungen

Pubchem Sid

528763087

Kanonisches Lächeln

CC1=C(C2=C(N1CCN3CCOCC3)C=C(C=C2)I)C(=O)C4=CC=C(C=C4)OC

IUPAC Name

[6-iodo-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone

InChIKey

JHOTYHDSLIUKCJ-UHFFFAOYSA-N

INCHI

1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3

Isomere SMILES

CC1=C(C2=C(N1CCN3CCOCC3)C=C(C=C2)I)C(=O)C4=CC=C(C=C4)OC

WGK Deutschland

3

Alternative CAS-Nummer

164178-33-0

MeSH-Eintrag

1-(2-(morpholin-4-yl)ethyl)-2-methyl-3-(4-methoxybenzoyl)-6-iodoindole;2-methyl-3-(4-methoxybenzoyl)-6-iodo-1-(2-morpholinoethyl)-1H-indole;6-iodopravadoline;AM 630;AM-630;AM630;iodopravadoline;methanone, (6-iodo-2-methyl-1-(2-(4-morpholinyl)ethyl)-1H-ind

Molekulargewicht

504.36

Reaxy-Rn

8360417

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8360417&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Benzoylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoylindoles
• Alternative Parents: Aryl-phenylketones Indolecarboxylic acids and derivatives N-alkylindoles Indoles Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Morpholines Aryl iodides Substituted pyrroles Vinylogous amides Heteroaromatic compounds Trialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organoiodides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoylindole - Aryl-phenylketone - Indolecarboxylic acid derivative - N-alkylindole - Indole - Phenol ether - Aryl ketone - Phenoxy compound - Methoxybenzene - Anisole - Benzoyl - Alkyl aryl ether - Oxazinane - Benzenoid - Substituted pyrrole - Morpholine - Monocyclic benzene moiety - Aryl halide - Aryl iodide - Heteroaromatic compound - Vinylogous amide - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Ketone - Oxacycle - Azacycle - Dialkyl ether - Ether - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

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CNR2 Tchem Cannabinoid receptor 2 (10 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)

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

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HT-29 (80576 Activities)

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Jurkat (10389 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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CNR2 Tchem Cannabinoid receptor (238 Activities)

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Cruzipain (33337 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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CHO (4503 Activities)

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lef Anthrax lethal factor (7585 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Impa1 Inositol monophosphatase 1 (16203 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.65
• Siedepunkt (°C): 605.93 °C at 760 mmHg
• Molekulargewicht: 504.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 504.091 Da
• Monoisotopic Mass: 504.091 Da
• Topological Polar Surface Area: 43.700 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 548.000
• 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