プログルミド
Proglumide
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基本情報
- CAS
6620-60-6- 標準SMILES
CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1- InChIKey
DGMKFQYCZXERLX-UHFFFAOYSA-N- 分子式
- C18H26N2O4
- 平均分子量
- 334.4 g/mol
- 単同位体質量
- 334.18925731
概要
Proglumide is a racemate composed of equal amounts of (R)- and (S)-proglumide. A non-selective CCK antagonist that was used primarily for treatment of stomach ulcers, but has been replaced by newer drugs. It has a role as an opioid analgesic, a cholinergic antagonist, a drug metabolite, an anti-ulcer drug, a gastrointestinal drug, a delta-opioid receptor agonist, a cholecystokinin antagonist and a xenobiotic metabolite. It contains a (R)-proglumide and a (S)-proglumide.
名称と識別子
- 優先名称
- Proglumide
- IUPAC
- 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid
- 現地名
- プログルミド
- 英語名
- Proglumide
- 分子式
- C18H26N2O4
- 分子量
- 334.41
名称と別名
proglumide6620-60-64-benzamido-5-(dipropylamino)-5-oxopentanoic acidBinosideXylamidedl-proglumideMilidNulsaGastrotopicMidelidUlcutinProglumida
名称をさらに表示
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プログルミドビノシドミデリッドプロミドヌルサキシルアミドプログルミド (JP17)ProMkxm242dlcr242w5219milide
XydeProglumidumPromidW-5219DTXSID7023516242 DLCR-242(+-)-4-Benzamido-N,N-dipropylglutaramic acid
データベース識別子
物性
構造計算による物性補完中
- XLogP
- 2.4
- 極性表面積
- 86.7 Ų
- 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
実験および物理化学的性質
Human DrugsPharmaceuticals
Collision Cross Section
181.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
186.48 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 148 · 148-150°C
- 沸点
- 471.21 °C · 471.21°C (rough estimate)
- 比重(密度)
- 1.1944 · 1.1944 (rough estimate)
- 屈折率
- 1.57 · 1.5700 (estimate)
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解性
- DMSO（微量）、メタノール（微量）
- 外見
- 個体
- 酸解離定数(Pka)
- 4.51 · 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
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
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationREACH registered substance: Proglumide (EC: 229-567-4)
Other Safety InformationIMAP assessments - Pentanoic acid, 4-(benzoylamino)-5-(dipropylamino)-5-oxo-, (.+-.)-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
安全データ
- 毒性
- LD50 in mice (mg/kg): 2211-2649 i.v.; 7350-8861 orally (Rovati)
化学と産業
薬理情報
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
MeSH Pharmacological Classification
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
用途と製造
Use ClassificationPharmaceuticals
応用分野
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.
上流・下流製品情報
上流原料
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