プログルミド
rac-(R*)-4-(ベンゾイルアミノ)-5-(ジプロピルアミノ)-5-オキソ吉草酸 · (±)-4-(ベンゾイルアミノ)-5-(ジプロピルアミノ)-5-オキソ吉草酸 · ガストロピック · キシラミド(胃粘膜保護薬) · キシド · プロミド(副交感神経しゃ断薬) · ミリッド · ウルクチン
識別子と物理属性
| CAS No. | 6620-60-6 |
|---|---|
| 分子式 | C18H26N2O4 |
| 平均分子量 | 334.4 g/mol |
| 単同位体質量 | 334.18925731 g/mol |
| SMILES | CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1 |
| InChIKey | DGMKFQYCZXERLX-UHFFFAOYSA-N |
| PubChem CID | 4922 |
| ChEMBL | CHEMBL316561 |
| ChEBI | CHEBI:32058 |
| EC No. | 229-567-4 |
| DTXSID | DTXSID7023516 |
| 現地名 | プログルミド |
化学・物理的性質
| XLogP | 2.4 |
|---|---|
| 極性表面積 | 86.7 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 10 |
| 重原子数 | 24 |
| 形式電荷 | 0 |
| 複雑度 | 413 |
| Human Drugs | Pharmaceuticals |
| Collision Cross Section | 181.1 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]186.48 Ų [M+K]+ [CCS Type: TW |
| 融点 | 148-150°C |
| 沸点 | 471.21°C (rough estimate) |
| 密度 | 1.1944 (rough estimate) |
| 屈折率 | 1.5700 (estimate) |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 溶解度 | DMSO（微量）、メタノール（微量） |
| 外観・状態 | 個体 |
| pKa（酸解離定数） | 4.51±0.10(Predicted) |
| 色 | クリスタル |
| InChI | InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22) |
| InChIKey | DGMKFQYCZXERLX-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCC(NC(=O)C1=CC=CC=C1)C(N(CCC)CCC)=O |
| CAS データベース | 6620-60-6(CAS DataBase Reference) |
| EPAの化学物質情報 | Pentanoic acid, 4-(benzoylamino)-5-(dipropylamino)-5-oxo- (6620-60-6) |
化学的特性
White Solid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | REACH registered substance: Proglumide (EC: 229-567-4) |
| その他の安全情報 | IMAP assessments - Pentanoic acid, 4-(benzoylamino)-5-(dipropylamino)-5-oxo-, (.+-.)-: Human health tier I assessment |
| Hazard Classes and Categories | Not Classified |
| 毒性 | LD50 in mice (mg/kg): 2211-2649 i.v.7350-8861 orally (Rovati) |
用途
説明
Proglumide (Milid) is a drug that inhibits gastrointestinal motility and reduces gastric secretions. It acts as a cholecystokinin antagonist, which blocks both the CCKA and CCKB subtypes. It was used mainly in the treatment of stomach ulcers, although it has now been largely replaced by newer drugs for this application.Proglumide is a nonpeptide and orally active cholecystokinin (CCK)-A/B receptors antagonist. Proglumide selective blocks CCK’s effects in the central nervous system (CNS). Proglumide has ability to inhibit gastric secretion and to protect the gastroduodenal mucosa. Proglumide also has antiepileptic and antioxidant activities.
使用
Anticholinergic.