1-(2,3-Dichlorobenzoyl)-5-methoxy-2-methyl-(3-(morpholin-4-yl)ethyl)-1H-indole hydrochloride

HCID 9911463
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Grundinformationen

CAS
180002-83-9
Standard-SMILES
COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl
InChIKey
FSFZRNZSZYDVLI-UHFFFAOYSA-N
Summenformel
C23H24Cl2N2O3
Durchschnittliche Molmasse
447,4 g/mol
Monoisotopische Masse
446,11639799

Überblick

GW405833 is a methylindole that is 2-methyl-1H-indole substituted by 2,3-dichlorobenzoyl, 2-(morpholin-4-yl)ethyl, and methoxy groups at positions 1, 3 and 5, respectively. It is a partial agonist of the cannabinoid CB2 receptor (EC50 = 0.65 nM). It has a role as a CB2 receptor agonist, an analgesic and an anti-inflammatory agent. It is a member of benzamides, a dichlorobenzene, an aromatic ether, a methylindole, a member of morpholines and a N-acylindole.

Namen und Bezeichner

Bevorzugter Name
1-(2,3-Dichlorobenzoyl)-5-methoxy-2-methyl-(3-(morpholin-4-yl)ethyl)-1H-indole hydrochloride
IUPAC
(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone
Englischer Name
1-(2,3-DICHLOROBENZOYL)-5-METHOXY-2-METHYL-3-[2-(4-MORPHOLINYL)ETHYL]-1H-INDOLE
Summenformel
C23H24Cl2N2O3
Molmasse
447.35

Namen und Synonyme

(2,3-Dichlorophenyl)[5-methoxy-2-methyl-3-[2-(4-morpholinyl)ethyl]-1H-indol-1-yl]methanone(2,3-Dichlorophenyl)(5-methoxy-2-methyl-3-(2-(4-morpholinyl)ethyl)-1H-indol-1-yl)methanoneRefChem:4203001-(2,3-Dichlorobenzoyl)-5-methoxy-2-methyl-(3-(morpholin-4-yl)ethyl)-1H-indole hydrochloride634-036-9180002-83-9GW-405833gw 405833GW405833(2,3-dichlorophenyl)(5-methoxy-2-methyl-3-(2-morpholinoethyl)-1H-indol-1-yl)methanoneL-768242(2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-yl-ethyl)-indol-1-yl]-methanone
Weitere Namen anzeigen
GW405833 hydrochlorideGW 405833, 10 mM in DMSO1-(2,3-DICHLOROBENZOYL)-5-METHOXY-2-METHYL-3-[2-(4-MORPHOLINYL)ETHYL]-1H-INDOLE(2,3-Dichloro-phenyl)-[5-Methoxy-2-Methyl-3-(2-Morpholin-4-yl-ethyl)-indol-1-yl](2,3-DICHLORO-PHENYL)-[5-METHOXY-2-METHYL-3-(2-MORPHOLIN-4-YL-ETHYL)-INDOL-1-YL]-METHAN
1-(2,3-Dichlorobenzoyl)-5-methoxy-2-methyl-3-(2-morpholinoethyl)-1H-indoleJ2.981.899A(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanoneCHEMBL73711GW-405,833Methanone, (2,3-dichlorophenyl)[5-methoxy-2-methyl-3-[2-(4-morpholinyl)ethyl]-1H-indol-1-yl]-85K154W99LMethanone, (2,3-dichlorophenyl)(5-methoxy-2-methyl-3-(2-(4-morpholinyl)ethyl)-1H-indol-1-yl)-

Datenbank-Bezeichner

CAS
180002-83-9
PubChem CID
9911463
DTXSID
DTXSID20432728
ChEMBL
CHEMBL73711
ChEBI
CHEBI:92184
UNII
85K154W99L
EC Number
634-036-9
Nikkaji
J2.981.899A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,1
Polarare Oberfläche (TPSA)
43,7 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
5
Schwere Atome
30

Physikochemische Eigenschaften

Schmelzpunkt
47 · 47-49℃
storage temp.
2 · 2-8°C
Löslichkeit
10 · Soluble in DMSO at 10-15mg/ml. Also soluble in ethanol at ~5mg/ml.
Aggregatzustand
solid
Farbe
tan
InChI
1S/C23H24Cl2N2O3.ClH/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25;/h3-7,14H,8-13H2,1-2H3;1H

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)

Sicherheitsdaten

wgk
3
ridadr
UN 2811 6.1/PG 3
risk_code
25
hazard_code
T
safety_code
45
hazard_class
6.1

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenIt is a potent and selective CB2 receptor partial agonist (EC50 = 0.65 nM; maximum inhibition = 44.6%). Binds with high affinity to both human and rat CB2 receptors and displays ~ 1200-fold selectivity over CB1 (Ki values are 3.92 and 4772 nM for human recombinant CB2 and CB1 receptors respectively). Produces potent antihyperalgesic effects in several rodent models of pain.

Anbieter28 Anbieter

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

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