기본 정보
- CAS
72873-74-6- 표준 SMILES
Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1- InChIKey
YOELZIQOLWZLQC-UHFFFAOYSA-N- 분자식
- C16H12FN3S
- 평균 분자량
- 297.4 g/mol
- 단동위원소 질량
- 297.0735966
개요
6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b]thiazole is a member of imidazoles.
이름 및 식별자
- 우선 이름
- 6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole
- IUPAC
- 6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole
- 영어명
- 6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo[2,1-b]thiazole dihydrochloride
- 분자식
- C16H12FN3S
- 분자량
- 297.35
이름 및 동의어
skf-8600272873-74-6Skf 860026-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazoleSKF860029R6QDF1UO74-[6-(4-fluorophenyl)-2H,3H-imidazo[2,1-b][1,3]thiazol-5-yl]pyridineSK&F-86002DTXSID70223168Imidazo(2,1-b)thiazole, 6-(4-fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)-KSF-86002Imidazo[2,1-b]thiazole, 6-(4-fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)-
이름 더 보기
CS-1711SKF 86002 DIHYDROCHLORIDESKF-86002 - CAS 72873-74-6 - Calbiochem6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroiMidazo[2,1-b]thi5-(4-Pyridyl)-6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b]thiazole6-(4-FLUOROPHENYL)-2,3-DIHYDRO-5-(4-PYRIDYL)IMIDAZO[2,1-B]THIAZOLE6-(4-FLUOROPHENYL)-2,3-DIHYDRO-5-(4-PRIDYL)IMIDAZO-[2,1,B]-THAIZOLE6-(4-FLUOROPHENYL)-5-(4-PYRIDYL)-2,3-DIHYDROIMIDAZO[2,1-B]-THIAZOLE
4-(6-(4-fluorophenyl)-2H,3H-imidazo(2,1-b)(1,3)thiazol-5-yl)pyridineRefChem:886390DTXCID70145659635-291-9SK&F 860026-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b]thiazoleMFCD00869367SK&F 86002-A(2)
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 56 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 355
물리화학적 성질
- 녹는점
- 189 · 189-190 °C(lit.)
- 끓는 점
- 476.1 · 476.1±55.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · Keep in dark place,Sealed in dry,2-8°C
- 용해도
- 9 mg/mL, · DMSO: 9mg/mL, 가용성
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.36 · 4.36±0.10(Predicted)
- 색상
- 회백색
- InChI
- InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2
- InChIKey
- YOELZIQOLWZLQC-UHFFFAOYSA-N
- SMILES
- S1CCN2C(C3C=CN=CC=3)=C(C3=CC=C(F)C=C3)N=C12
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 38 reports by companies from 1 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
- HS 번호
- 2934999090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
응용 분야
개요SKF 86002 is an anti-inflammatory agent. It inhibits rat seminal vesicle prostaglandin H2 (PGH2) synthase (IC50 = 120 μM), as well as prostanoid production by rat basophilic leukemia (RBL-1) cells and human monocytes (IC50s = 70 and 1 μM, respectively). SKF 86002 inhibits leukotriene B4 (LTB4) and LTC4 production induced by A23187 in human neutrophils and monocytes, respectively (IC50 = 20 μM for both). It also inhibits LPS-induced IL-1 production in human monocytes (IC50 = 1.3 μM). SKF 86002 (10, 30, and 90 mg/kg) reduces hindleg volume in rat models of adjuvant- or collagen-induced arthritis. It also decreases serum levels of TNF-α and increases survival in a mouse model of LPS and galactosamine-induced endotoxic shock when administered at a dose of 100 mg/kg.
용도SKF 86002 is an inhibitor of p53, Cox, and 5-LO.
공급사61 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
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