기본 정보
- CAS
90-89-1- 표준 SMILES
CCN(CC)C(=O)N1CCN(C)CC1- InChIKey
RCKMWOKWVGPNJF-UHFFFAOYSA-N- 분자식
- C10H21N3O
- 평균 분자량
- 199.29 g/mol
- 단동위원소 질량
- 199.1684623
개요
Diethylcarbamazine is a N-carbamoylpiperazine and a N-methylpiperazine.
이름 및 식별자
- 우선 이름
- Diethylcarbamazine
- IUPAC
- N,N-diethyl-4-methylpiperazine-1-carboxamide
- 영어명
- Diethylcarbamazine
- 분자식
- C10H21N3O
- 분자량
- 199.29
이름 및 동의어
diethylcarbamazine90-89-1CarbamazineN,N-Diethyl-4-methyl-1-piperazinecarboxamide1-Piperazinecarboxamide, N,N-diethyl-4-methyl-DietilcarbamazinaDiaethylcarbamazinumCaminDiethylcarbamazinumV867Q8X3ZDCHEBI:4527DTXSID1022928
이름 더 보기
DIETHYL CARBAMAZINE84LCypiprp3799RP 3799patoninBanocideCaracideCaricideEthodryl
RefChem:587348Maleate, Diethylcarbamazineditrazinum (for the citrate)DTXCID802928P02CB02Monohydrochloride, Diethylcarbamazine202-023-3N,N-diethyl-4-methylpiperazine-1-carboxamide
데이터베이스 식별자
- CAS
90-89-1- PubChem CID
- 3052
- DTXSID
DTXSID1022928- ChEMBL
CHEMBL684- ChEBI
CHEBI:4527- UNII
- V867Q8X3ZD
- EC Number
- 202-023-3
- Nikkaji
- J4.329J
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 26.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 184
실험 및 물리화학적 성질
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]
물리화학적 성질
- 녹는점
- 65 · 65-67℃
- 끓는 점
- 127 · 127-129℃ (10 Torr)
- 밀도
- 1.0173 · 1.0173 (rough estimate)
- 굴절률
- 1.493 · 1.4930 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- Solid-Liquid Mixture
- 산도 계수 (pKa)
- 7.7 · pKa 7.7 (Uncertain)
- 색상
- Off-white to light yellow
- EPA
- Diethylcarbamazine (90-89-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
Regulatory InformationREACH registered substance: Diethylcarbamazine (EC: 202-023-3)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
diethylcarbamazine
DILI Positive
Oral
DOI:10.1016/j.drudis.2019.09.022
안전 데이터
- tsca
- TSCA listed
- 독성
- LD50 intraperitoneal in mouse: 240mg/kg
- HS 번호
- 2933599590
화학 및 산업
약리 정보
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
용도 및 제조
General Manufacturing Information1-Piperazinecarboxamide, N,N-diethyl-4-methyl-: INACTIVE
응용 분야
개요Discovered 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.
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