基本情報
- CAS
1154-25-2- 標準SMILES
CCN(c1nc(N)c(C(=O)N=C(N)N)nc1Cl)C(C)C- InChIKey
QDERNBXNXJCIQK-UHFFFAOYSA-N- 分子式
- C11H18ClN7O
- 平均分子量
- 299.76 g/mol
- 単同位体質量
- 299.1261359
概要
Ethylisopropylamiloride is a member of the class of pyrazines that is amiloride in which the amino substitutent of the pyrazine ring that is adjacent to the chloro substituent has been substituted by an ethyl group and by an isopropyl group. It has a role as an anti-arrhythmia drug, a sodium channel blocker and a neuroprotective agent. It is a member of guanidines, a monocarboxylic acid amide, an aromatic amine, an organochlorine compound, a member of pyrazines and a tertiary amino compound. It is functionally related to an amiloride.
名称と識別子
- 優先名称
- Eipa
- IUPAC
- 3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide
- 現地名
- 3-アミノ-5-(N-エチル-N-イソプロピルアミノ)-N-(アミノイミノメチル)-6-クロロ-2-ピラジンカルボアミド
- 英語名
- EIPA
- 分子式
- C11H18ClN7O
- 分子量
- 299.76
名称と別名
EIPA1154-25-2Ethylisopropylamiloride5-(Ethylisopropyl)amilorideEthyl isopropyl amilorideDTXSID80151084VW50CE070T3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamideN-Amidino-3-amino-5-ethylisopropylamino-6-chloropyrazine carboxamide3-Amino-N-(aminoiminomethyl)-6-chloro-5-(ethyl(1-methylethyl)amino)pyrazinecarboxamideMH-12-43CHEBI:136538
名称をさらに表示
3-アミノ-5-(エチルイソプロピルアミノ)-6-クロロ-N-(ジアミノメチレン)ピラジンカルボアミドN-(アミノイミノメチル)-3-アミノ-5-(エチルイソプロピルアミノ)-6-クロロピラジン-2-カルボアミド3-アミノ-5-(N-エチル-N-イソプロピルアミノ)-6-クロロ-N-(アミノイミノメチル)-2-ピラジンカルボアミド5-(N-エチル-N-イソプロピル)-アミロリド5-(N-エチル-N-イソプロピル)アミロリド3-アミノ-5-(エチルイソプロピルアミノ)-6-クロロ-N-(アミノイミノメチル)-2-ピラジンカルボアミドN-(ジアミノメチレン)-3-アミノ-5-(エチルイソプロピルアミノ)-6-クロロピラジンカルボアミドN-(アミノイミノメチル)-3-アミノ-5-(エチルイソプロピルアミノ)-6-クロロ-2-ピラジンカルボキサミド3-アミノ-5-(N-エチル-N-イソプロピルアミノ)-N-(アミノイミノメチル)-6-クロロ-2-ピラジンカルボアミド6-クロロ-3-アミノ-5-[エチル(イソプロピル)アミノ]-N-(ジアミノメチレン)-2-ピラジンカルボアミド
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 137 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 5
- 回転可能結合数
- 4
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 372
物理化学的性質
- 融点
- 202 · 202-205 °C(lit.)
- 比重(密度)
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 貯蔵温度
- 2 · Keep in dark place,Sealed in dry,2-8°C
- 溶解性
- アセトニトリル（微量、加熱）、DMSO（微量）、メタノール（微量）
- 外見
- オフホワイトから黄色の固体。
- 酸解離定数(Pka)
- 8.67 · 8.67±0.46(Predicted)
- 色
- 淡い黄色から緑
- 由来生物
- synthetic
- 安定性
- メタノール中で不安定
- InChI
- InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
- InChIKey
- QDERNBXNXJCIQK-UHFFFAOYSA-N
- SMILES
- C1(C(NC(N)=N)=O)=NC(Cl)=C(N(CC)C(C)C)N=C1N
- CAS データベース
- 1154 · 1154-25-2
化学的性質
化学的特性Yellow Solid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- wgk
- 3
- ridadr
- 2811
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
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.
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
A subclass of sodium channel blockers that are specific for ACID-SENSING SODIUM CHANNELS.
A subclass of sodium channel blockers that are specific for EPITHELIAL SODIUM CHANNELS.
応用分野
説明Sodium-hydrogen exchangers (NHE) are involved in maintaining sodium and pH balance in a variety of tissues. They are also known as sodium-hydrogen antiporters and solute carrier family 9 members. 5-(N-ethyl-N-isopropyl)-Amiloride (EIPA) is a potent inhibitor of several NHE isoforms, inhibiting NHE1, NHE2, NHE3, and NHE5 with Ki values of 0.02, 0.5, 2.4, and 0.42 μM, respectively. It less effectively inhibits NHE4 (IC50 ≥10 μM). EIPA is commonly used at a concentration of 5-10 μM to inhibit cellular HNE activity.
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