기본 정보
- CAS
15421-84-8- 표준 SMILES
CCN(CC)c1cc(C)nc2ncnn12- InChIKey
GSNOZLZNQMLSKJ-UHFFFAOYSA-N- 분자식
- C10H15N5
- 평균 분자량
- 205.26 g/mol
- 단동위원소 질량
- 205.1327455
개요
Trapidil is a member of triazolopyrimidines.
이름 및 식별자
- 우선 이름
- Trapidil
- IUPAC
- N,N-diethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
- 영어명
- 7-(DIETHYLAMINO)-5-METHYL-S-TRIAZOLO[1,5-A]PYRIMIDINE
- 분자식
- C10H15N5
- 분자량
- 205.26
이름 및 동의어
trapidil15421-84-8RocornalTrapyminN,N-diethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amineAR 12008TrapidilumDTXSID0045416AR-12008(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N,N-diethyl-5-methyl-EYG5Y6355EDTXCID8025416
이름 더 보기
ar12008AvantrinTrapymineTrapidil CRSTrapidil (AR12008)Trapidil >=98% (HPLC)Trapidil, 10 mM in DMSO
[1,2,4]Triazolo[1,5-a]pyrimidin-7-amine, N,N-diethyl-5-methyl-N,N-diethyl-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidin-7-amineRefChem:389337C01DX117-Diethylamino-5-methyl(1,2,4)triazolo(1,5-a)pyrimidine239-434-2MFCD00193104Rocornal (TN)
데이터베이스 식별자
- CAS
15421-84-8- PubChem CID
- 5531
- DTXSID
DTXSID0045416- ChEMBL
CHEMBL132767- ChEBI
CHEBI:32254- UNII
- EYG5Y6355E
- EC Number
- 239-434-2
- Nikkaji
- J3.445B
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 46.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 206
실험 및 물리화학적 성질
Drugs
Pharmaceuticals
Pharmaceuticals -> Listed in ZINC15
Pharmaceutical
LogP1.42
Solubility>30.8 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 녹는점
- 98 · 98-99.4° (Pfeifer); 102-104° from heptane (Tenor)
- 밀도
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 2 O: · H2O: ≥15mg/mL
- 산도 계수 (pKa)
- 2.79 · pKs = 2.79(at 25℃)
- 물리적 상태
- 가루
- 색상
- 흰색에서 황갈색까지
- 주요 응용
- 의약품(소분자)
- InChI
- InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3
- InChIKey
- GSNOZLZNQMLSKJ-UHFFFAOYSA-N
- SMILES
- C12=NC=NN1C(N(CC)CC)=CC(C)=N2
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (97.4%): 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 (97.4%)
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Trapidil
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
안전 데이터
- wgk
- 3
- 독성
- LD50 in mice, rats (mg/kg): 115, 76 i.v.; 380, 235 orally; 155, 100 i.p.; 132, 100 s.c. (Fuller)
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- 기존화학 물질
- KE-10498
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
PharmacodynamicsTrapidil exerts vasodilatory and antiplatelet effects. It also inhibits the activity of platelet derived growth factor (PDGF).
Mechanism of Action
Trapidil is thought to inhibit cyclic adenosine monophosphate (cAMP) phosphodiesterase enzymes. The resultant increase in cAMP potentiates the inhibition of platelets by adenosine. The reduction in platelet activation is likely responsible for the decrease in thromboxane A2 generation seen with trapidil. The increase in cAMP is also likely responsible for the vasdilatory action of trapidil. The increase in protein kinase A activity due to increased cAMP activated L-type calcium channels in the heart leading to increased depolarization and a positive inotropic effect. Lastly, PKA inactivates Raf-1, an activator of mitogen activated protein kinase (MAPK), which leads to a reduction in MAPK activation. This reduction in MAPK prevents mitogenesis due to PDGF binding to PDGF receptors.
Biological Half-LifeThe half life of elimination is 1.31 h for a single dose and 1.14 h for steady state dosing.
MeSH Pharmacological Classification
Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Drugs used to cause dilation of the blood vessels.
Absorption, Distribution and Excretion
Trapidil has a Tmax of 1 h.
The apparent clearance is 179 mL/min for a single dose and 273 mL/min for steady state dosing.
용도 및 제조
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…