데이터를 보충하는 중입니다. 보통 1분 이내에 완료됩니다
기본 정보
- 표준 SMILES
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O- InChIKey
RJMUSRYZPJIFPJ-UHFFFAOYSA-N- 분자식
- C13H8Cl2N2O4
- 평균 분자량
- 327.123 g/mol
- 단동위원소 질량
- 325.9861121
이름 및 식별자
- 우선 이름
- 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
- IUPAC
- 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
- 영어명
- Niclosamide
- 분자식
- C13H8Cl2N2O4
- 분자량
- 327.12
이름 및 동의어
데이터베이스 식별자
- CAS
50-65-7- PubChem CID
- 4477
- DTXSID
DTXSID7040362- ChEMBL
CHEMBL1448- ChEBI
CHEBI:7553- UNII
- 8KK8CQ2K8G
- EC Number
- 200-056-8
- Nikkaji
- J4.106H
물성
물리화학적 성질
- 녹는점
- 225 · 225-230°
- 끓는 점
- 424.5 · 424.5±45.0 °C(Predicted)
- 밀도
- 1.6646 · 1.6646 (rough estimate)
- 굴절률
- 1.62 · 1.6200 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 50 mg/mL · 아세톤:메탄올:용해성50mg/mL(메탄올:아세톤(1:1))
- 물리적 상태
- 담황색 고체
- 산도 계수 (pKa)
- 7.45 · 7.45±0.43(Predicted)
- 색상
- 노란색
- 수용성
- 13.32 mg/L · 13.32mg/L(25 ºC)
- BRN
- 2820605 · 2820605
- Henry's Law Constant
- 1.5 · 1.5×104 mol/(m3Pa) at 25℃, HSDB (2015)
- BCS Class
- 4 · 4
- 안정성
- 2 · 제공된 대로 구매일로부터 2년 동안 안정적입니다. DMSO 또는 에탄올 용액은 -20°에서 최대 3개월 동안 보관할 수 있습니다.
- 주요 응용
- 의약품(소분자)
- InChI
- 1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
- InChIKey
- RJMUSRYZPJIFPJ-UHFFFAOYSA-N
- SMILES
- Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O
- EPA
- Niclosamide (50-65-7)
화학적 성질
Yellowish-white or yellowish, fine crystals.Yellow-white crystalline powder, odorless, tasteless. Melting point 225-230 ℃. Insoluble in water, soluble in hot ethanol, chloroform, cyclohexanone, diethyl ether and sodium hydroxide solution.
안전 및 규제
안전 데이터
- wgk
- 2
- rtecs
- VN8400000
- ridadr
- UN 3077 9/PG 3
- 독성
- LD50 oral in rat: 2500mg/kg
- HS 번호
- 29242990
- risk_code
- 50
- safety_code
- 29
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 50-65-7(Hazardous Substances Data)
화학 및 산업
응용 분야
용도Niclosamide has been used extensively in the treatment of tapeworm infections caused by Taenia saginata, Taenia solium, Diphyllobothrium latum, Fasciolopsis buski, and Hymenolepis nana. It is an effective alternative to praziquantel for treating infections caused by T. saginata (beef tapeworm), T. solium (pork tapeworm), and D. latum (fish tapeworm) and is active against most other tapeworm infections. It is absorbed by intestinal cestodes but not nematodes.A single dose is usually adequate to produce a cure rate of 95%.With H. nana (dwarf tapeworm), a longer treatment course (up to 7 days) is necessary. Niclosamide is administered orally after the patient has fasted overnight and may be followed in 2 hours by purging (magnesium sulfate 15–30 g) to encourage complete expulsion of the cestode, especially T. solium, although this is not always considered necessary. Cure is assessed by follow-up stool examination in 3 to 5 months.With the availability of other agents, niclosamide is no longer widely used.The most widely employed agents are praziquantel and the benzimidazoles.
일반 설명A cell-permeable salicylanilide that, in addition to its well-known antihelmintic efficacy, acts as a mammalian mTORC1, but not mTORC2, signaling inhibitor mechanistically distinct from rapamycin. Likely a direct consequence of autophagy activation, Niclosamide is demonstrated to induce Wnt-independent Frizzled1 and Dishevelled-2 downregulation. Unrelated to its autophagy induction activity, Niclosamide is also shown to inhibit Stat3 signaling (IC50 = 0.25 M in HeLa reporter assays). Efficiently inhibits breast cancer stem-like cells in vitro and in vivo.
상·하류 제품 정보
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