基本情報
- CAS
90961-53-8- 標準SMILES
C1CCC2(C1)C1CN(CC3CC3)CC2CN(CC2CC2)C1- InChIKey
CTIRHWCPXYGDGF-UHFFFAOYSA-N- 分子式
- C19H32N2
- 平均分子量
- 288.5 g/mol
- 単同位体質量
- 288.25654903
概要
Tedisamil is a member of the class of diazabicyclononanes that is (1s,5s)-3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane] in which the hydrogens at positions 3 and 7 are replaced by cyclopropylmethyl groups. It is a potassium channel blocker and an antiarrhythmic agent currently currently in development for the treatment of atrial fibrillation. It has a role as an anti-arrhythmia drug and a potassium channel blocker. It is a diazabicyclononane, a member of cyclopentanes, an azaspiro compound and a member of cyclopropanes.
名称と識別子
- 優先名称
- Tedisamil
- IUPAC
- 3,7-bis(cyclopropylmethyl)spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]
- 現地名
- テジサミル
- 英語名
- Tedisamil
- 分子式
- C19H32N2
- 分子量
- 288.47
名称と別名
Tedisamil90961-53-8TedisamilumKC-8857KC88573,7-bis(cyclopropylmethyl)spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]A5VAY2U3R83',7'-Bis(cyclopropylmethyl)spiro(cyclopentane-1,9'-(3,7)diazabicyclo(3.3.1)nonane)CHEBI:134747DTXSID30238334Spiro(cyclopentane-1,9'-(3,7)diazabicyclo(3.3.1)nonane), 3',7'-bis(cyclopropylmethyl)-3,7-di-(cyclopropylmethyl)-9,9-tetramethylene-3,7-diazabicyclo(3.3.1)nonane
名称をさらに表示
3,7-ビス(シクロプロピルメチル)スピロ[3,7-ジアザビシクロ[3.3.1]ノナン-9,1'-シクロペンタン]テジサミル3,7-ビス(シクロプロピルメチル)-3,7-ジアザスピロ[ビシクロ[3.3.1]ノナン-9,1'-シクロペンタン]3,7-ビス(シクロプロピルメチル)-3,7-ジアザスピロ[ビシクロ[3.3.1]ノナン-9,1′-シクロペンタン]3,7-ビス(シクロプロピルメチル)スピロ[3,7-ジアザビシクロ[3.3.1]ノナン-9,1′-シクロペンタン]Pulzium
3,7-bis(cyclopropylmethyl)-3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]3,7-bis(cyclopropylmethyl)-3,7-diazaspiro(bicyclo(3.3.1)nonane-9,1'-cyclopentane)3,7-bis(cyclopropylmethyl)spiro(3,7-diazabicyclo(3.3.1)nonane-9,1'-cyclopentane)RefChem:187699C01BD06DTXCID50160825KC 8857Tedisamil (USAN)
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 6.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 4
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 348
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
LogP4.19
物理化学的性質
- 沸点
- 372.452 · 372.452±10.00 °C(Press: 760.00 Torr)(predicted)
- 比重(密度)
- 1.097 · 1.097±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 酸解離定数(Pka)
- 9.218 · 9.218±0.20(predicted)
化学と産業
薬理情報
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Mechanism of ActionIt is hypothesized tedisamil prevents Ca2+ overload by the cAMP dependent SR Ca2+ uptake [PMID: 10707827].
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
応用分野
使用Antiarrhythmic agent (Ktchannel blocker).
サプライヤー3 社
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
関連反応
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化合物ノート
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