기본 정보
- 표준 SMILES
CCCn1c(=O)[nH]c(=O)c2[nH]cnc21- InChIKey
SIQPXVQCUCHWDI-UHFFFAOYSA-N- 분자식
- C8H10N4O2
- 평균 분자량
- 194.19 g/mol
- 단동위원소 질량
- 194.08037556
개요
Enprofylline is xanthine bearing a propyl substituent at position 3. A bronchodilator, it is used for the symptomatic treatment of asthma and chronic obstructive pulmonary disease, and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy. It has a role as a non-steroidal anti-inflammatory drug, a bronchodilator agent, an anti-arrhythmia drug and an anti-asthmatic drug.
이름 및 식별자
- 우선 이름
- Enprofylline
- IUPAC
- 3-propyl-7H-purine-2,6-dione
- 현지명
- 엔프로필라인
- 영어명
- ENPROFYLLINE
- 분자식
- C8H10N4O2
- 분자량
- 194.19
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
41078-02-8- PubChem CID
- 1676
- DTXSID
DTXSID9045186- ChEMBL
CHEMBL279898- ChEBI
CHEBI:126237- UNII
- DT7DT5E518
- EC Number
- 255-201-8
- Nikkaji
- J16.542E
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 78.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 268
실험 및 물리화학적 성질
LogP
-0.2
0.33
Solubility
5.68e+00 g/L
>29.1 [ug/mL] (The mean of the results at pH 7.4)
Melting Point
287-289 °C
287 - 289 °C
물리화학적 성질
- 녹는점
- 287 · 287-289 °C
- 밀도
- 1.38 g/cm3 · 1.38 g/cm3
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO: 용해될 수 있다
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 10.26 · 10.26±0.20(Predicted)
- 색상
- 하얀색
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- wgk
- 3
- rtecs
- UO8439700
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 36
화학 및 산업
약리 정보
Mechanism of Action
Enprofylline inhibits erythrocyte phosphodiesterase, resulting in an increase in erythrocyte cAMP activity. Subsequently, the erythrocyte membrane becomes more resistant to deformity. Along with erythrocyte activity, enprofylline also decreases blood viscosity by reducing plasma fibrinogen concentrations and increasing fibrinolytic activity.
MeSH Pharmacological Classification
Agents that cause an increase in the expansion of a bronchus or bronchial tubes.
Drugs that are used to treat asthma.
Compounds that selectively bind to and block the activation of ADENOSINE A2 RECEPTORS.
응용 분야
개요3-Propylxanthine is a xanthine derivative that antagonizes adenosine receptors (Kis = 44, 32, and 6.3 μM for A1, A2A, and A2B, respectively) and cAMP phosphodiesterase (Ki = 42 μM). Through these actions, 3-propylxanthine induces smooth muscle relaxation, blocks smooth muscle contraction and VEGF secretion driven by adenosine receptor agonists, and reduces bronchial hyperresponsiveness.
용도Enprofylline is a xanthine lacking adenosine receptor antagonism.
상·하류 제품 정보
상류 원료
공급사27 곳
추가 설명
정의ChEBI: Xanthine bearing a propyl substituent at position 3. A bronchodilator, it is used for the symptomatic treatment of asthma and chronic obstructive pulmonary disease, and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic n uropathy.
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