기본 정보
- CAS
335161-03-0- 표준 SMILES
O=C(c1ccccc1I)c1cn(CCCCCF)c2ccccc12- InChIKey
LFFIIZFINPPEMC-UHFFFAOYSA-N- 분자식
- C20H19FINO
- 평균 분자량
- 435.3 g/mol
- 단동위원소 질량
- 435.04954
개요
1-(5-fluoropentyl)-3-(2-iodobenzoyl)indole is a member of the class of indoles that is 1H-indole which is substituted at position 1 by a 5-fluoropentyl group and a position 3 by an o-fluorobenzoyl group. It is a selective agonist for the CB1 cannabinoid receptor; Ki values for the CB1 and CB2 receptors are 0.08 and 1.44 nM, respectively. It has a role as a cannabinoid receptor agonist. It is a member of indoles, an organoiodine compound, an organofluorine compound, a synthetic cannabinoid and an aromatic ketone.
이름 및 식별자
- 우선 이름
- AM-694
- IUPAC
- [1-(5-fluoropentyl)indol-3-yl]-(2-iodophenyl)methanone
- 영어명
- AM-694
- 분자식
- C20H19FINO
- 분자량
- 435.27
이름 및 동의어
AM-6941-(5-fluoropentyl)-3-(2-iodobenzoyl)indoleAM694AM 6946RK7KN7L1ODEA No. 7694J2.929.919FCHEBI:1380171-[(5-Fluoropentyl)-1H-indol-3-yl]-(2-iodophenyl)methanone1-((5-FLUOROPENTYL)-1H-INDOL-3-YL)-(2-IODOPHENYL)METHANONEMETHANONE, (1-(5-FLUOROPENTYL)-1H-INDOL-3-YL)(2-IODOPHENYL)-AM694 cpd
이름 더 보기
AM694 (exempt preparation)AM-694 (1-(5-Fluoropentyl)-3-(2-iodobenzoyl)-indole)1-(5-fluoropentyl)-3-[(2-iodophenyl)carbonyl]-1H-indoleMethanone, [1-(5-fluoropentyl)-1H-indol-3-yl](2-iodophenyl)-AM-694 (1-(5-Fluoropentyl)-3-(2-iodobenzoyl)indole) 1.0 mg/ml in AcetonitrileAM-694 (1-(5-Fluoropentyl)-3-(2-iodobenzoyl)indole) 0.1 mg/ml in Acetonitrile
RefChem:556857335161-03-0UNII-6RK7KN7L1O[1-(5-Fluoropentyl)-1H-indol-3-yl](2-iodophenyl)methanone[1-(5-fluoropentyl)indol-3-yl]-(2-iodophenyl)methanoneSCHEMBL16755254SCHEMBL29385295SCHEMBL29567887
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 22 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 418
실험 및 물리화학적 성질
Drugs
DEA NFLIS-Drug Category -> Synthetic Cannabinoids
DEA Schedule I Controlled Substance -> Cannabimimetic agents
Synthetic Cannabinoids
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Collision Cross Section181.96 Ų [M+H]+
물리화학적 성질
- 끓는 점
- 546.7 · 546.7±40.0 °C(Predicted)
- 밀도
- 1.46 · 1.46
- 용해도
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 14 mg/ml; Ethanol: 10 mg/ml
- 물리적 상태
- 결정성 고체
화학적 성질
Off-White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationDEA schedule I controlled substance
안전 데이터
- DEA Controlled Substances
- CSCN: 7694CSA SCH: Schedule INARC: No
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationCompounds that interact with and stimulate the activity of CANNABINOID RECEPTORS.
응용 분야
개요AM694 is a potent synthetic cannabinoid (CB) with Ki values of 0.08 and 1.44 nM for the CB1 and CB2 receptors, respectively. The physiological actions and metabolism of AM694 have not been characterized.
용도A synthetic cannabimimetic indole derivative which acts as a potent and selective agonist for the cannabinoid receptor CB1.
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