PF-573228

HCID 11612883CAS 869288-64-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1
InChIKey
HESLKTSGTIBHJU-UHFFFAOYSA-N
분자식
C22H20F3N5O3S
평균 분자량
491.5 g/mol
단동위원소 질량
491.12389518

이름 및 식별자

우선 이름
PF-573228
IUPAC
6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
영어명
PF 573228
분자식
C22H20F3N5O3S
분자량
491.49

이름 및 동의어

PF-5732283,4-Dihydro-6-[[4-[[[3-(methylsulfonyl)phenyl]methyl]amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-2(1H)-quinolinone3,4-Dihydro-6-((4-(((3-(methylsulfonyl)phenyl)methyl)amino)-5-(trifluoromethyl)-2-pyrimidinyl)amino)-2(1H)-quinolinoneRefChem:860477663-602-8869288-64-2PF 573228PF573228PF-2286-((4-((3-(Methylsulfonyl)benzyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-3,4-dihydroquinolin-2(1H)-oneMFCD115199676-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one
이름 더 보기
CS-253PF-573228, >=98%PF-573228 ，S2013PF-573228[PZ0117]PF 573228 USP/EP/BPPF-573228 DISCONTINUEDPF-573228, 10 mM in DMSO
MLS006011194CHEMBL5145543,4-DIHYDRO-6-[[4-[[[3-(METHYLSULFONYL)PHENYL]METHYL]AMINO]-5-(TRIFLUOROMETHYL)-PYRIMIDIN-2-YL]AMINO]-2(1H)-QUINOLINONE6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-oneNCGC00263133-11PF-573228, >=95% (HPLC)6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{H}-quinolin-2-oneP4N

데이터베이스 식별자

CAS
869288-64-2
PubChem CID
11612883
DTXSID
DTXSID10469447
ChEMBL
CHEMBL514554
ChEBI
CHEBI:91446
EC Number
663-602-8
Nikkaji
J2.466.074E

물성

구조 계산 물성

XLogP
3.2
극성 표면적
121 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
10
회전 가능 결합 수
6
무거운 원자 수
34

물리화학적 성질

녹는점
242 °C · >242°C (dec.)
밀도
1.459 · 1.459
저장 조건
2 · 2-8°C
용해도
20 mg/mL · DMSO: ≥20mg/mL
물리적 상태
가루
산도 계수 (pKa)
14.3 · 14.30±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.4%)；Eye Irrit. 2 (97.4%)

안전 데이터

wgk
3
ridadr
UN 2811 6.1 / PGIII
risk_code
25-36
hazard_code
T
safety_code
26-45
Hazard Classifications
Acute Tox. 4 Oral

화학 및 산업

응용 분야 · 2건

개요Focal adhesion kinases (FAKs) are non-receptor tyrosine kinases that play roles in regulating diverse processes, including cell adhesion, spreading, migration, proliferation, and apoptosis. They are overexpressed in many types of cancer. PF-573228 inhibits FAK with IC50 values of 4 and 30-100 nM for a purified recombinant catalytic fragment of FAK and in cultured cells, respectively. It is 50-250-fold selective for FAK over other protein kinases. PF-573228 can inhibit chemotactic and haptotactic migration of cells as well as prevent focal adhesion turnover.

용도A novel focal adhesion kinase inhibitor that has been shown to suppress the adverse phenotype of endocrine-resistant breast cancer cells and improve endocrine response in endocrine-sensitive cells.

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

관련 반응

2건
반응 기록 만들기

연결된 노트

불러오는 중…