기본 정보
- CAS
27591-69-1- 표준 SMILES
CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2- InChIKey
MPMFCABZENCRHV-UHFFFAOYSA-N- 분자식
- C25H34N2O3
- 평균 분자량
- 410.5 g/mol
- 단동위원소 질량
- 410.25694295
개요
Tilorone is a member of the class of fluoren-9-ones that is 9H-fluoren-9-one which is substituted by a 2-(diethylamino)ethoxy group at positions 2 and 7. It is an interferon inducer and a selective alpha7 nicotinic acetylcholine receptor (alpha7 nAChR) agonist. Its hydrochloride salt is used as an antiviral drug. It has a role as an antiviral agent, an antineoplastic agent, an interferon inducer, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a nicotinic acetylcholine receptor agonist and an anti-inflammatory agent. It is a member of fluoren-9-ones, an aromatic ether, a diether and a tertiary amino compound. It is a conjugate base of a tilorone(2+).
이름 및 식별자
- 우선 이름
- Tilorone
- IUPAC
- 2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one
- 영어명
- Tilorone
- 분자식
- C25H34N2O3
- 분자량
- 410.55
이름 및 동의어
tilorone27591-97-5Bis-DEAE-fluorenoneTiloronaTiloronum9H-Fluoren-9-one, 2,7-bis[2-(diethylamino)ethoxy]-2,7-Bis(2-(diethylamino)ethoxy)-9H-fluoren-9-oneDTXSID1045958O6W7VEW6KS2,7-bis[2-(diethylamino)ethoxy]-9H-fluoren-9-oneDTXCID90259589H-FLUOREN-9-ONE, 2,7-BIS(2-(DIETHYLAMINO)ETHOXY)-
이름 더 보기
2,TILORONETilorone USP/EP/BPEthylamine fluorenone2,7-Bis[2-(diethylamino)ethoxy]-9-fluorenone
CHEBI:147347Bis DEAE FluorenoneRefChem:933073J05AX192,7-Bis-(2-diethylamino-ethoxy)-fluoren-9-oneTilorone [INN]2,7-Bis-DEAE-fluorenone2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one
데이터베이스 식별자
- CAS
27591-69-1、27591-97-5- PubChem CID
- 5475
- DTXSID
DTXSID1045958- ChEMBL
CHEMBL47298- ChEBI
CHEBI:147347- UNII
- O6W7VEW6KS
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 42 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 477
실험 및 물리화학적 성질
Collision Cross Section
195.31 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
219.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 끓는 점
- 552.3 · 552.3±50.0 °C(Predicted)
- 밀도
- 1.102 · 1.102±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.67 · 9.67±0.25(Predicted)
- 물리적 상태
- Solid
- 색상
- Orange to red
화학 및 산업
약리 정보
ATC Code
J - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
MeSH Pharmacological Classification
Substances that reduce or suppress INFLAMMATION.
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Agents that promote the production and release of interferons. They include mitogens, lipopolysaccharides, and the synthetic polymers Poly A-U and Poly I-C. Viruses, bacteria, and protozoa have been also known to induce interferons.
상·하류 제품 정보
하류 제품
공급사30 곳
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