기본 정보
- CAS
51022-77-6- 표준 SMILES
CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C- InChIKey
OPQRBXUBWHDHPQ-UHFFFAOYSA-N- 분자식
- C14H19N5O2
- 평균 분자량
- 289.33 g/mol
- 단동위원소 질량
- 289.15387487
개요
Etazolate is a pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine which is substituted at positions 1, 4, and 5 by ethyl, 2-isopropylidenehydrazino, and ethoxycarbonyl groups, respectively. A phosphodiesterase IV inhibitor with antidepressant and anxiolytic properties. It has a role as an antidepressant, an anxiolytic drug, an antipsychotic agent, a GABA agent, a neuroprotective agent, a phosphodiesterase IV inhibitor and an alpha-secretase activator. It is an ethyl ester, a hydrazone and a pyrazolopyridine.
이름 및 식별자
- 우선 이름
- Etazolate
- IUPAC
- ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
- 영어명
- ETAZOLATE
- 분자식
- C14H19N5O2
- 분자량
- 289.33
이름 및 동의어
etazolate51022-77-6EtazolatoEtazolatumEHT-0202I89Y79062L1H-Pyrazolo(3,4-b)pyridine-5-carboxylic acid, 1-ethyl-4-((1-methylethylidene)hydrazino)-, ethyl esterDTXSID4048434CHEBI:138502ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[4,5-e]pyridine-5-carboxylateethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo(4,5-e)pyridine-5-carboxylateRefChem:137999
이름 더 보기
ETAZOLATE HYDROCHLORIDESQ 20009SQ 64442Zinc00001379Etazolate hydrochlor1-Ethyl-4-[2-(1-Methylethylidene)hydrazinyl]-1-Ethyl-4-isopropylidenehydrazino-1H-pyrazolo[3,4-b]-1-pyridine-5-carboxylic Acid Ethyl Ester1-Ethyl-4-isopropylidenehydrazino- 1H-pyrazolo[3,4-β]-1-pyridine-5-carboxylic Acid Ethyl Ester1-Ethyl-4-(2-isopropylidenehydrazino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
DTXCID0028408Etazolate [INN]ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylateethyl 1-ethyl-4-(2-isopropylidenehydrazino)pyrazolo[3,4-b]pyridine-5-carboxylateEtazolatum [INN-Latin]Etazolato [INN-Spanish]Ethyl 1-ethyl-4-(2-(propan-2-ylidene)hydrazineyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylateEthyl 1-ethyl-4-[2-(1-methylethylidene)hydrazino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 81.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 397
물리화학적 성질
- 녹는점
- 193 · 193-194°C
- 끓는 점
- 427.6 · 427.6±55.0 °C(Predicted)
- 밀도
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 저장 조건
- Store at RT
- 용해도
- 2 O: · H2O: >20 mg/mL 용액은 새로 준비해야 합니다.
- 산도 계수 (pKa)
- 9.94 · 9.94±0.70(Predicted)
- 물리적 상태
- 고체
- 색상
- 하얀색
화학적 성질
Off-White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
화학 및 산업
약리 정보
Mechanism of Action
EHT 0202 was discovered to play a role in protecting neurons in pharmacological models of neuronal cell death. ExonHit identified RNA isoforms produced by alterations of splicing specifically taking place in neurodegenerative disease models. These isoforms were identified using DATAS(TM), ExonHit's proprietary gene profiling technology. DATAS(TM), stands for Differential Analysis of Transcripts with Alternative Splicing.
MeSH Pharmacological Classification
Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.
Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.
공급사18 곳
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