基本情報
- CAS
27591-69-1- 標準SMILES
CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2- InChIKey
MPMFCABZENCRHV-UHFFFAOYSA-N- 分子式
- C25H34N2O3
- 平均分子量
- 410.5 g/mol
- 単同位体質量
- 410.25694295
概要
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+).
名称と識別子
- 優先名称
- Tilorone
- IUPAC
- 2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one
- 現地名
- 2,7-ビス[2-(ジエチルアミノ)エトキシ]-9H-フルオレン-9-オン
- 英語名
- Tilorone
- 分子式
- C25H34N2O3
- 分子量
- 410.55
名称と別名
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)-
名称をさらに表示
2,7-ビス[2-(ジエチルアミノ)エトキシ]-9H-フルオレン-9-オンビス-DEAE-フルオレノンチロロン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
データベース識別子
- CAS
27591-69-1、27591-97-5- PubChem CID
- 5475
- DTXSID
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 42 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 12
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 477
実験および物理化学的性質
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]
物理化学的性質
- 沸点
- 552.3 · 552.3±50.0 °C(Predicted)
- 比重(密度)
- 1.102 · 1.102±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 9.67 · 9.67±0.25(Predicted)
- 外見
- Solid
- 色
- Orange to red
化学と産業
薬理情報
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.
上流・下流製品情報
下流製品
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武汉绿景丰华生物科技有限公司19972070065 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
深圳振强药物研发有限公司
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