基本情報
- CAS
90-89-1- 標準SMILES
CCN(CC)C(=O)N1CCN(C)CC1- InChIKey
RCKMWOKWVGPNJF-UHFFFAOYSA-N- 分子式
- C10H21N3O
- 平均分子量
- 199.29 g/mol
- 単同位体質量
- 199.1684623
概要
Diethylcarbamazine is a N-carbamoylpiperazine and a N-methylpiperazine.
名称と識別子
- 優先名称
- Diethylcarbamazine
- IUPAC
- N,N-diethyl-4-methylpiperazine-1-carboxamide
- 現地名
- ジエチルカルバマジン
- 英語名
- Diethylcarbamazine
- 分子式
- C10H21N3O
- 分子量
- 199.29
名称と別名
diethylcarbamazine90-89-1CarbamazineN,N-Diethyl-4-methyl-1-piperazinecarboxamide1-Piperazinecarboxamide, N,N-diethyl-4-methyl-DietilcarbamazinaDiaethylcarbamazinumCaminDiethylcarbamazinumV867Q8X3ZDCHEBI:4527DTXSID1022928
名称をさらに表示
ノテジンN,N-ジエチル-4-メチル-1-ピペラジンカルボアミド4-メチル-N,N-ジエチル-1-ピペラジンカルボアミドカルバマジンジエチルカルバマジンカラシドN,N-ジエチル-4-メチル-1-ピペラジンカルボキサミドカリシドビチラジンカルビラジンジトラジンベーススパトニンシピップエトドリルDIETHYL CARBAMAZINE84LCypiprp3799RP 3799patoninBanocideCaracideCaricideEthodryl
RefChem:587348Maleate, Diethylcarbamazineditrazinum (for the citrate)DTXCID802928P02CB02Monohydrochloride, Diethylcarbamazine202-023-3N,N-diethyl-4-methylpiperazine-1-carboxamide
データベース識別子
- CAS
90-89-1- PubChem CID
- 3052
- DTXSID
DTXSID1022928- ChEMBL
CHEMBL684- ChEBI
CHEBI:4527- UNII
- V867Q8X3ZD
- EC Number
- 202-023-3
- Nikkaji
- J4.329J
物性
構造計算による物性
- XLogP
- 0.3
- 極性表面積
- 26.8 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
- 2
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 184
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesFusion temperature
LogP0.1
Solubility2.36e+02 g/L
Human DrugsAntifilarials
Melting Point
150-155
48 °C
Physical DescriptionSolid
Collision Cross Section143.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 65 · 65-67℃
- 沸点
- 127 · 127-129℃ (10 Torr)
- 比重(密度)
- 1.0173 · 1.0173 (rough estimate)
- 屈折率
- 1.493 · 1.4930 (estimate)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 外見
- Solid-Liquid Mixture
- 酸解離定数(Pka)
- 7.7 · pKa 7.7 (Uncertain)
- 色
- Off-white to light yellow
- EPAの化学物質情報
- Diethylcarbamazine (90-89-1)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationREACH registered substance: Diethylcarbamazine (EC: 202-023-3)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
diethylcarbamazine
DILI Positive
Oral
DOI:10.1016/j.drudis.2019.09.022
安全データ
- tsca
- TSCA listed
- 毒性
- LD50 intraperitoneal in mouse: 240mg/kg
- hs_code
- 2933599590
化学と産業
薬理情報
ATC Code
P - Antiparasitic products, insecticides and repellents
QP - Antiparasitic products, insecticides and repellents
P02CB02
PharmacodynamicsDiethylcarbamazine is an anthelmintic drug that does not resemble other antiparasitic compounds. It is a synthetic organic compound which is highly specific for several parasites and does not contain any toxic metallic elements.
Mechanism of Action
The mechanism of action of diethylcarbamazine is thought to involve sensitizing the microfilariae to phagocytosis. One study showed that diethylcarbamazine's activity against <i>Brugia malayi</i> microfilariae is dependent on inducible nitric-oxide synthase and the cyclooxygenase pathway. It confirmed the important role of the arachidonic acid metabolic pathway in diethylcarbamazine's mechanism of action <i>in vivo</i> and showes that in addition to its effects on the 5-lipoxygenase pathway, it targets the cyclooxygenase pathway and COX-1.
Biological Half-LifeApproximately 8 hours.
Metabolism/MetabolitesPartially metabolized to diethylcarbamazine N-oxide.
FDA Pharmacological Classification
V867Q8X3ZD
DIETHYLCARBAMAZINE
Established Pharmacologic Class [EPC] - Anthelmintic
Diethylcarbamazine is an Anthelmintic.
MeSH Pharmacological Classification
Pharmacological agents destructive to nematodes in the superfamily Filarioidea.
Compounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES.
Absorption, Distribution and ExcretionReadily absorbed following oral administration.
Cellular LocationsCytoplasm
用途と製造
General Manufacturing Information1-Piperazinecarboxamide, N,N-diethyl-4-methyl-: INACTIVE
応用分野
解説ジエチルカルバマジン．N-メチルピペラジンにジエチルカルバモイルクロリドを縮合させると得られる．融点47～49 ℃，沸点108～111 ℃(0.4 kPa)．クエン酸塩(白色の結晶．融点140～142 ℃．水に可溶，エタノールに微溶)はフィラリア症に対して高い治療効果をもつ抗原虫薬であり，回虫に対しても有効である．LD50 2073 mg/kg(マウス，経口)．駆虫剤の一つ。ピペラジン誘導体である。おもにフィラリア幼虫に作用し，末梢血流中の幼虫を消失させる。そのほか回虫，蟯虫などの線虫類に有効である。毒性は低く，安全域が大きいが，白血球増加症を起すことがある。また，静脈注射により血圧が一過性に上昇し，次いで下降する。中毒量を投与すれば嘔吐，振戦，けいれんをきたす。
説明Discovered in the 1940s, diethylcarbamazine (DEC) has proven to be especially effective as a filaricidal agent. The incidence of filariasis among American troops during World War II necessitated a search for drugs with an antifalarial spectrum of activity. The once-popular piperazine also was discovered during these initial screenings. Although chemically similar, the activity again helminths is quite different. Piperazine is active against nematodes, whereas DEC is active against falaria and microfalaria.
上流・下流製品情報
上流原料
サプライヤー44 社
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
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梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
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上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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上海源叶生物科技有限公司18916372613 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
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爱诗伦生物科技（上海）有限公司021-50676523 18019098996 · [email protected]
Aladdin Scientific[email protected]
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Shanxi Xuanran Import and Export Trade Co., Ltd.+8617735180244 · [email protected]
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