3-O-[3-(ジメチルアミノ)プロピル]-1-O,2-O-イソプロピリデン-α-D-グルコフラノース
Amiprilose Hydrochloride
基本情報
- CAS
56824-20-5- 標準SMILES
CN(C)CCCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)CO.Cl- InChIKey
RJNRORZRFGUAKL-ADMBVFOFSA-N- 分子式
- C14H28ClNO6
- 平均分子量
- 341.83 g/mol
- 単同位体質量
- 341.1605153
概要
See also: Amiprilose (has active moiety).
名称と識別子
- 優先名称
- Amiprilose Hydrochloride
- IUPAC
- (1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)propoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol;hydrochloride
- 現地名
- 3-O-[3-(ジメチルアミノ)プロピル]-1-O,2-O-イソプロピリデン-α-D-グルコフラノース
- 英語名
- Amiprilose
- 分子式
- C14H27NO6
- 分子量
- 305.37
名称と別名
60414-06-4AMIPRILOSE HYDROCHLORIDETherafectinAmiprilose HClSM-1213 HYDROCHLORIDE546994B3VADTXCID3025883RefChem:112092633-482-1DTXSID5045883Amiprilose (hydrochloride)Amiprilose hydrochloride [USAN]
名称をさらに表示
3-O-[3-(ジメチルアミノ)プロピル]-1-O,2-O-イソプロピリデン-α-D-グルコフラノーステラフェクチンアミプリロース(1R)-1-[(3aR,5R,6S,6aR)-6-[3-(ジメチルアミノ)プロポキシ]-2,2-ジメチル-テトラヒドロ-2H-フロ[2,3-d][1,3]ジオキソール-5-イル]エタン-1,2-ジオールSM-1213amiprilose3-O-[3-(Dimethylamino)propyl]-1-O,2-O-isopropylidene-α-D-glucofuranose1,2-O-Isopropylidene-3-O-[3 -(N,N-dimethylamino)propyl]-a-D-glucofuranoseα-D-Glucofuranose, 3-O-[3-(dimethylamino)propyl]-1,2-O-(1-methylethylidene)-3-O-[3-(Dimethylamino)propyl]-1,2-O-(1-methylethylidene)-alpha-D-glucofuranose1,2-o-isopropylidene-3-o-[3'-(n,n-dimethylamino)propyl]-α-d-glucofuranose hydrochloride1,2-O-ISOPROPYLIDENE-3-O-[3'-(N,N-DIMETHYLAMINO)-PROPYL]-ALPHA-D-GLUCOFURANOSE HYDROCHLORIDE
物性
構造計算による物性
- 極性表面積
- 80.6 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 7
- 回転可能結合数
- 7
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 337
実験および物理化学的性質
Collision Cross Section167.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 沸点
- 431 · 431.0±45.0 °C(Predicted)
- 比重(密度)
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 屈折率
- 25 · n25 1.4687
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- 13.51 · 13.51±0.20(Predicted)
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
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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 CategoriesAcute Tox. 3 (97.4%)
安全データ
- wgk
- 3
- risk_code
- 23/24/25-36/37/38
- hazard_code
- T
- safety_code
- 22-26-36-45
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
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.
応用分野
使用Anti-inflammatory.
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