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

HCID 9911463
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기본 정보

CAS
180002-83-9
표준 SMILES
COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl
InChIKey
FSFZRNZSZYDVLI-UHFFFAOYSA-N
분자식
C23H24Cl2N2O3
평균 분자량
447.4 g/mol
단동위원소 질량
446.11639799

개요

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.

이름 및 식별자

우선 이름
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
영어명
1-(2,3-DICHLOROBENZOYL)-5-METHOXY-2-METHYL-3-[2-(4-MORPHOLINYL)ETHYL]-1H-INDOLE
분자식
C23H24Cl2N2O3
분자량
447.35

이름 및 동의어

(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
이름 더 보기
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)-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
5.1
극성 표면적
43.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
30

물리화학적 성질

녹는점
47 · 47-49℃
저장 조건
2 · 2-8°C
용해도
10 · 10-15mg/ml의 DMSO에 용해됩니다. ~5mg/ml의 에탄올에도 용해됩니다.
물리적 상태
고체
색상
갈색을 띤 노란색
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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)

안전 데이터

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

화학 및 산업

응용 분야 · 1건

용도It 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.

공급사28 곳

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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