기본 정보
- CAS
66548-69-4- 표준 SMILES
Cc1nnc2ccc(-c3cccc(C(F)(F)F)c3)nn12- InChIKey
GUOQUXNJZHGPQF-UHFFFAOYSA-N- 분자식
- C13H9F3N4
- 평균 분자량
- 278.23 g/mol
- 단동위원소 질량
- 278.07793079
개요
3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is a ring assembly and a member of pyridazines.
이름 및 식별자
- 우선 이름
- 3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
- IUPAC
- 3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
- 영어명
- CL 218872
- 분자식
- C13H9F3N4
- 분자량
- 278.23
이름 및 동의어
66548-69-4CL 218872CL 218,872O7GR5XL5B5CL218,872DTXSID802167281,2,4-Triazolo(4,3-b)pyridazine, 3-methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-Triazolo[4,3-b]pyridazine, 3-methyl-6-[3-(trifluoromethyl)phenyl]-RefChem:911519DTXCID10139219636-288-53-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
이름 더 보기
CI 218872CL 218872, 10 mM in DMSO3-METHYL-6-(3-(TRIFLUOROMETHYL)PHENYL)*1 ,2,4-TRIAZO3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,2-B)pyridazine3-Methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazolo[4.3-6] pyridazine3-METHYL-6-(3-[TRIFLUOROMETHYL]PHENYL)-1,2,4-TRIAZOLO-(4,3-B)PYRIDAZINEGABA Receptor,Gamma-aminobutyric acid Receptor,CL218872,CL 218872,γ-Aminobutyric acid Receptor,Inhibitor,inhibit,CL-218872
3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine3-Methyl-6-(3-(trifluoromethyl)phenyl)-[1,2,4]triazolo[4,3-b]pyridazineCL-218872MFCD00674912CI-218872CHEMBL13662CL-218,872CL218872
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 43.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 349
실험 및 물리화학적 성질
DrugsDEA NFLIS-Drug Category -> Depressants and Tranquilizers
물리화학적 성질
- 녹는점
- 193 · 193-194 °C(Solv: methanol (67-56-1))
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 1 mg/ml; · DMF: 1 mg/ml; DMSO: 1 mg/ml; Ethanol: 1 mg/ml
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 0.48 · 0.48±0.30(Predicted)
- 색상
- Light yellow to brown
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here.
응용 분야
용도CL 218872 is a benzodiazepine receptor (BZR) partial agonist and a putative anxiolytic.
공급사34 곳
苏州道澜生物医药科技有限公司15952404857 · [email protected]
常州佳德医药科技有限公司18006124028 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海乔木化学科技有限公司021-60451683 15021268886 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
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