기본 정보
- CAS
2390-54-7- 표준 SMILES
Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C.[Cl-]- InChIKey
JADVWWSKYZXRGX-UHFFFAOYSA-M- 분자식
- C17H19N2S.Cl
- 평균 분자량
- 318.9 g/mol
- 단동위원소 질량
- 318.0957475
개요
Thioflavine T is an organic chloride salt having 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium as the counterion. It is widely used to visualise and quantify the presence of amyloids, both in vitro and in vivo. It has a role as a geroprotector, a fluorochrome and a histological dye. It contains a thioflavin T cation.
이름 및 식별자
- 우선 이름
- Thioflavin T
- IUPAC
- 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline chloride
- 현지명
- 티오플라빈 T
- 영어명
- Thioflavin T
- 분자식
- C17H19ClN2S
- 분자량
- 318.86
이름 및 동의어
Thioflavin T2390-54-7Thioflavine TBasic yellow 1Acronol Yellow TCC.I. Basic Yellow 1C.I. 49005CAX9SG0II0Benzothiazolium, 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-, chloride3,6-Dimethyl-2-dimethylaminophenylbenzothiazolium chlorideNSC-11235Benzothiazolium, 2-(p-(dimethylamino)phenyl)-3,6-dimethyl-, chloride
이름 더 보기
티오플라빈T티오플라빈T(THIOFLAVINT)CI 490052-[4-(dimethylamino)phenyl]-3,6-dimethyl-benzothiazoliuchlorideThiofLavin TCI NO 49005hioflavineTSetoflavin T
CHEBI:76023DTXSID10883841Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3,6-dimethyl-, chlorideBenzothiazolium, 2-(4-(dimethylamino)phenyl)-3,6-dimethyl-, chloride (1:1)2-(p-(dimethylamino)phenyl)-3,6-dimethylbenzothiazolium chlorideBenzothiazolium, 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-, chloride (1:1)ThT (dye)RefChem:189525
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- 극성 표면적
- 35.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 325
물리화학적 성질
- 녹는점
- 211 · 211-212 °C (decomp)
- 밀도
- 1.301 g/cm3 · 1.301g/cm3 at 20℃
- 증기압
- 0 Pa · 0Pa at 25℃
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 1 mg/mL · 메탄올: 용해성1mg/mL
- 물리적 상태
- 가루
- 색상
- 노란색~황토색
- 수용성
- 5 mg/mL · water: 5mg/mL
- BRN
- 3922452 · 3922452
- InChI
- InChI=1S/C17H19N2S.ClH/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;/h5-11H,1-4H3;1H/q+1;/p-1
- InChIKey
- JADVWWSKYZXRGX-UHFFFAOYSA-M
- SMILES
- C1(=[N+](C)C2C=CC(C)=CC=2S1)C1C=CC(N(C)C)=CC=1.[Cl-]
- LogP
- 3.02 at · 3.02 at 25℃ and pH7.98
- EPA
- 2 · Benzothiazolium, 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-, chloride (2390-54-7)
화학적 성질
yellow to ochre-yellow powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 21.4% (3 of 14) of reports.
Danger
H301 (78.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 14 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzothiazolium, 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-,chloride
REACH registered substance: 2-[4-(dimethylamino)phenyl]-3,6-dimethylbenzothiazolium chloride (EC: 219-228-9)
Thioflavine T: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (78.6%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- HS 번호
- 32041300
- safety_code
- 24/25
- 포장분류
- III
- 위험 등급
- 6.1(b)
- 기존화학 물질
- KE-11178
- Hazard Classifications
- Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Sens. 1
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
용도 및 제조
General Manufacturing InformationBenzothiazolium, 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-, chloride (1:1): ACTIVE
응용 분야
역사In 1959, Vassar and Culling first employed Thioflavin T (ThT) for the fluorescence imaging of amyloid plaques, revealing its potential for histological staining. In 1993, LeVine standardized the method for quantifying fibril formation using ThT, providing a simple fluorescence-based approach for studying protein folding and aggregation kinetics[1].
용도Textile dyeing, fluorescent sign paints, in combination with green or blue pigments to produce brilliant greens, phosphotungstic pigments.
일반 설명Thioflavin T is a benzothiazole dye that increases in fluorescence upon binding to amyloid. Thioflavin T has been used in histology and for protein characterization.
제조 방법
4-(6-Methyl-2,3-dihydrobenzo[d]thiazol-2-yl)benzenaminewith methanol and hydrochloric acid or sulfuric acid, at 160 ~ 170 ℃ methylation under pressure.
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