기본 정보
- CAS
212631-61-3- 표준 SMILES
Cc1cc(I)ccc1Nc1c(C(=O)NOCC2CC2)cc(F)c(F)c1F- InChIKey
UHAXDAKQGVISBZ-UHFFFAOYSA-N- 분자식
- C18H16F3IN2O2
- 평균 분자량
- 476.2 g/mol
- 단동위원소 질량
- 476.02086
개요
N-(cyclopropylmethoxy)-3,4,5-trifluoro-2-(4-iodo-2-methylanilino)benzamide is an aminobenzoic acid.
이름 및 식별자
- 우선 이름
- PD 198306
- IUPAC
- N-(cyclopropylmethoxy)-3,4,5-trifluoro-2-(4-iodo-2-methylanilino)benzamide
- 현지명
- N-(CYCLOPROPYLMETHOXY)-3,4,5-TRIFLUORO-2-[(4-IODO-2-메틸페닐)아미노]-벤자미드
- 영어명
- N-(Cyclopropylmethoxy)-3,4,5-trifluoro-2-[(4-iodo-2-methylphenyl)amino]-benzamide
- 분자식
- C18H16F3IN2O2
- 분자량
- 476.23
이름 및 동의어
PD 198306DTXSID70433306PD198306RefChem:928667DTXCID40384134212631-61-3PD-198306Benzamide, N-(cyclopropylmethoxy)-3,4,5-trifluoro-2-((4-iodo-2-methylphenyl)amino)-WQ5121ZGT3N-(Cyclopropylmethoxy)-3,4,5-trifluoro-2-((4-iodo-2-methylphenyl)amino)benzamideN-(cyclopropylmethoxy)-3,4,5-trifluoro-2-(4-iodo-2-methylanilino)benzamideN-Cyclopropylmethoxy-3,4,5-trifluoro-2-(4-iodo-2-methylphenylamino)benzamide
이름 더 보기
N-(CYCLOPROPYLMETHOXY)-3,4,5-TRIFLUORO-2-[(4-IODO-2-메틸페닐)아미노]-벤자미드MEK Inhibitor VIIIPD 198306, 10 mM in DMSON-(Cyclopropylmethoxy)-3,4,5-trifluoro-2-[(4-iodo-2-methylphenyl)amino]-benzamideBenzamide, N-(cyclopropylmethoxy)-3,4,5-trifluoro-2-[(4-iodo-2-methylphenyl)amino]-MAPK,inhibit,neuropathic,Inhibitor,MAP2K,rabies,mitogen-activated protein,drug,MAPKK,PD-198306,phosphatases,PD 198306,inositol,RNA,pain,interference,MEK,ERK,antihyperalgesic,screening,Mitogen-activated protein kinase kinase,phosphate,kinases,PD198306
N-(cyclopropylmethoxy)-3,4,5-trifluoro-2-[(4-iodo-2-methylphenyl)amino]benzamideHMS3229H15UNII-WQ5121ZGT3orb1306133SCHEMBL1801637C18H16F3IN2O2CHEMBL1474985SCHEMBL29356577
데이터베이스 식별자
- CAS
212631-61-3- PubChem CID
- 9956637
- DTXSID
DTXSID70433306- ChEMBL
CHEMBL1474985- ChEBI
CHEBI:93541- UNII
- WQ5121ZGT3
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 50.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 497
물리화학적 성질
- 녹는점
- 125 · 125-127 °C
- 밀도
- 1.686 · 1.686±0.06 g/cm3(Predicted)
- 저장 조건
- 4 °C · Store at +4°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -3.95 · -3.95±0.50(Predicted)
- 색상
- 하얀색
- InChI
- 1S/C18H16F3IN2O2/c1-9-6-11(22)4-5-14(9)23-17-12(7-13(19)15(20)16(17)21)18(25)24-26-8-10-2-3-10/h4-7,10,23H,2-3,8H2,1H3,(H,24,25)
- InChIKey
- UHAXDAKQGVISBZ-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요PD 198306 is an orally bioavailable and potent inhibitor of MAPK kinase 1/2 (MEK1/2; IC50 = 8 nM). It is selective for MEK1/2 over ERK, c-Src, PI3Kγ, and cyclin-dependent kinases (IC50s = >1 μM). PD 198306 (3-100 μM) reduces ERK1/2 phosphorylation and inhibits growth of HL-60 cells in vitro. In vivo, PD 198306 (10-30 mg/kg) reduces ERK1/2 phosphorylation and matrix metalloproteinase-1 (MMP-1) expression in a dose-dependent manner in a rabbit model of osteoarthritis. It also reduces ERK1/2 activity in the lumbar spinal cord and blocks static allodynia in rat models of neuropathic pain induced by streptozotocin or chronic constriction injury.
용도PD 198306 is a cell-permeable and highly selective potent inhibitor of MEK 1/2.
공급사18 곳
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
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