기본 정보
- CAS
22668-01-5- 표준 SMILES
O=C(Cn1ccnc1[N+](=O)[O-])NCCO- InChIKey
WCDWBPCFGJXFJZ-UHFFFAOYSA-N- 분자식
- C7H10N4O4
- 평균 분자량
- 214.18 g/mol
- 단동위원소 질량
- 214.07020481
개요
Etanidazole is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitro-1H-imidazol-1-yl)acetic acid with the amino group of ethanolamine. Used as a radiosensitising agent for hypoxic tumour cells. It has a role as a radiosensitizing agent, an alkylating agent, an antineoplastic agent and a prodrug. It is a member of imidazoles, a monocarboxylic acid amide and a C-nitro compound. It is functionally related to an ethanolamine.
이름 및 식별자
- 우선 이름
- Etanidazole
- IUPAC
- N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide
- 영어명
- ETANIDAZOLE
- 분자식
- C7H10N4O4
- 분자량
- 214.18
이름 및 동의어
etanidazole22668-01-5RadinylEtanidazolEtanidazolum1H-Imidazole-1-acetamide, N-(2-hydroxyethyl)-2-nitro-NSC-301467SR 2508SR-2508N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)acetamideN-(2-Hydroxyethyl)-2-nitro-1H-imidazole-1-acetamideNSC 301467
이름 더 보기
SP-2508Etanidazole (SR-2508)N-(2-Hydroxyethyl)-1H-imidazole-1-acetamiden-(2-hydroxyethyl)-2-nitro-imidazole-1-acetamidn-(2-hydroxyethyl)-2-nitro-1h-imidazole-1-acetamidN-[2-HYDROXYETHYL]-2-NITRO-1H-IMIDAZOLE-1-ACETAMIDE
N-(2-Hydroxyethyl)-2-nitroimidazole-1-acetamide30DKA3Q1HLNSC301467N-(2-Hydroxyethyl)-1-(2-nitro-1-imidazolyl)acetamideCHEBI:75473SR2508RefChem:591350636-578-1
데이터베이스 식별자
- CAS
22668-01-5- PubChem CID
- 3276
- DTXSID
DTXSID8045434- ChEMBL
CHEMBL47405
물성
구조 계산 물성
- XLogP
- -1.3
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 242
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP-1.32
Solubility
Water > 100 (mg/mL)
Methanol 60 (mg/mL)
Ethanol 30 (mg/mL)
Chloroform < 1 (mg/mL)
Stability/Shelf LifeBulk: The sample is stable at room temperature for at least one month (HPLC).
Solution: As a 10% solution in water, the chemical is stable for at least 24 hours (HPLC).
물리화학적 성질
- 녹는점
- 162 · 162-163° (Beaman); mp 164.5-165° (Lee)
- 끓는 점
- 354.3 °C · 354.3°C (rough estimate)
- 밀도
- 1.448 · 1.4480 (rough estimate)
- 굴절률
- 1.67 · 1.6700 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 아세톤(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.74 · 13.74±0.46(Predicted)
- 색상
- 흰색에서 황백색까지
- 안정성
- 흡습성
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, 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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
독성 정보
Toxicity Data
Mouse(ip): LD50: 3300 mg/kg
Mouse(iv): LD50: 4400 mg/kg
안전 데이터
- wgk
- 3
- rtecs
- NI3355000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.
응용 분야
용도Etanidazole is a kind of hypoxic radiosensitizer (a drug that sensitizes tumour cells to radiation therapy). Etanidazole is used in conjunction with Paclitaxel (P132500) to treat glioma, and is also used with Carboplatin (C177500) to treat advanced ovarian cancer.
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杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
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