트라이에틸렌테트라민
Triethylenetetramine
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기본 정보
- CAS
112-24-3- 표준 SMILES
NCCNCCNCCN- InChIKey
VILCJCGEZXAXTO-UHFFFAOYSA-N- 분자식
- C6H18N4
- 평균 분자량
- 146.23 g/mol
- 단동위원소 질량
- 146.15314659
개요
Triethylenetetramine appears as a yellowish liquid. Less dense than water. Combustible, though may be difficult to ignite. Corrosive to metals and tissue. Vapors heavier than air. Toxic oxides of nitrogen produced during combustion. Used in detergents and in the synthesis of dyes, pharmaceuticals and other chemicals.
이름 및 식별자
- 우선 이름
- Triethylenetetramine
- IUPAC
- N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
- 현지명
- 트라이에틸렌테트라민
- 영어명
- Triethylenetetramine
- 분자식
- C6H18N4
- 분자량
- 146.23
이름 및 동의어
TRIETHYLENETETRAMINEtrientine112-24-3TrienTeczaTriethylene tetramineTrientinaDEH 24Araldite hardener HY 9511,2-Ethanediamine, N,N'-bis(2-aminoethyl)-1,4,7,10-TetraazadecaneAraldite HY 951
이름 더 보기
트라이에틸렌테트라민트리에틸렌테트라민트리에틸렌테트라아민N,N'-비스(2-아미노에틸)-에틸렌디아민N,N'-비스(2-아미노트리에틸렌테트라아민(TETA)트라이에틸렌테트라민1,2-다이-(아미노에틸아민)-에탄1,2-비스-(2-아미노에틸아미노)-에탄1,8-다이아미노-3,6 아이자-옥탄1.4.7.10-테트라아자데칸2,2'-(1,2 에틸렌비스-아미노-)비스-에탄아민3,6-다이아자옥탄-1,8-다이아민N,N'-다이-(2-아미노에틸)-1,2-에탄다이아민N,N'-다이-(2-아미노에틸)-1,2-에틸렌다이아민N,N'-비스-(2-아미노에틸)-1,2-에탄다이아민N,N'-비스-(2-아미노에틸)-에틸렌다이아민트라이에틸렌 테트라민TETAtriethylentetramineTRIETHYLENETETRAMINE (TETA)deh24N1,N1'-(ethane-1,2-diyl)bis(ethane-1,2-diaMine)TRIETHYLTETRAMINE3,6-Diazaoctanethylenediamin
1,8-Diamino-3,6-diazaoctane3,6-Diazaoctane-1,8-diamineTrientinumtriethylene tetraamineN,N'-Bis(2-aminoethyl)-1,2-ethanediamineTrethylenetetramineN,N'-Bis(2-aminoethyl)ethylenediamineHY 951
데이터베이스 식별자
- CAS
112-24-3- PubChem CID
- 5565
- DTXSID
DTXSID9023702- ChEMBL
CHEMBL609- ChEBI
CHEBI:39501- UNII
- SJ76Y07H5F
- EC Number
- 203-950-6
- Nikkaji
- J5.120I
물성
구조 계산 물성보충 중
- XLogP
- -2.5
- 극성 표면적
- 76.1 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 49.7
실험 및 물리화학적 성질
Chemical Classes
Nitrogen Compounds -> Amines, Aliphatic
Corrosives
DrugsPharmaceuticals -> Listed in ZINC15
pHSTRONGLY BASIC (PH 10 IN 1% AQ SOLN)
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP-1.4/-1.66
Density
0.982 at 68 °F (USCG, 1999) - Less dense than water; will float
0.9818 @ 20 °C/20 °C
0.98 g/cm³
Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00
0.982
0.982 @25 °C
Viscosity27.24 mm²/s at 20 °C
Color/FormMODERATELY VISCOUS, YELLOWISH LIQUID
Solubility
greater than or equal to 100 mg/mL at 68.4 °F (NTP, 1992)
Soluble
SOL IN ALCOHOL, ACID
COMPLETE SOLUBILITY IN WATER
Solubility in water: miscible
Flash Point
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H312: Harmful in contact with skin [Warning Acute toxicity, dermal]
P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.4% (10 of 2507) of reports.
Danger
H302+H312 (18.4%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
유해성 정보
Regulatory Information
Chemical: 1,2-Ethanediamine, N,N'-bis(2-aminoethyl)-
1,2-Ethanediamine, N1,N2-bis(2-aminoethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Ethanediamine, N1,N2-bis(2-aminoethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Trientine (EC: 203-950-6)
Triethylenetetramine: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Other Safety InformationIMAP assessments - Selected linear polyethyleneamines: Human health tier II assessment
DOT LabelCorrosive
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Risk of fire and explosion on contact with oxidants. See Chemical Dangers.
화학 및 산업
약리 정보
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Pharmacodynamics
Triethylenetetramine (TETA) is a selective copper(II) chelator that works to promote urinary copper excretion. It was shown to reduce excess body copper storage and ameliorate symptoms of Wilson’s disease. In rats with diabetes mellitus, intravenous administration of TETA led to a dose-dependent increase in urinary copper excretion. In preliminary studies, TETA was shown to ameliorate left ventricular hypertrophy in both human and animal subjects with diabetes. In animal models, TETA was also shown to reverse manifestations of diabetic nephropathy, including nephromegaly, renal fibrosis, glomerulosclerosis, and albuminuria, without lowering hyperglycemia. This finding may be explained by TETA chelating copper cations, which are pro-oxidant and activate pathways that produce excessive reactive oxygen species (ROS) that cause tissue injury. TETA was shown to possess anti-angiogenesis properties, as copper is an essential element for angiogenesis in cancer cells. TETA was shown to inhibit telomerase, suggesting that it may exhibit an inhibitory effect or cytotoxicity on tumor growth. Based on these early findings, TETA has been studied for its anticancer effects.
Mechanism of Action
Wilson's disease is an autosomal recessive genetic disorder that leads to copper accumulation in the tissues. It is characterized by an array of neurologic or psychiatric symptoms as well as liver disease. One of the treatments for Wilson's disease is the use of copper-chelating agents, such as triethylenetetramine (TETA). TETA forms a stable complex with copper(II), which is then is readily eliminated through urinary excretion. TETA also chelates copper in the intestinal tract, reducing intestinal copper absorption by 80%. TETA and its metabolite, N<sub>1</sub>-acetyltriethylenetetramine (MAT), are also capable of binding divalent iron, divalent zinc, magnesium, and manganese.
Biological Half-LifeThe mean terminal half-life (t1/2) ranged from 13.8 to 16.5 hours.
Metabolism/Metabolites
The majority of absorbed TETA is extensively metabolized into acetyl-metabolites. TETA undergoes acetylation mediated by diamine acetyltransferase, also known as spermidine/spermine N<sub>1</sub>-acetyltranferase, to form two major active metabolites, N<sub>1</sub>-acetyltriethylenetetramine (MAT) and N<sub>1</sub>,N<sub>10</sub>-diacetyltriethylenetetramine (DAT). The chelating activity of MAT is significantly lower than that of TETA.
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