Basic information
- Standard SMILES
CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1- InChIKey
HESLKTSGTIBHJU-UHFFFAOYSA-N- Molecular formula
- C22H20F3N5O3S
- Average molar mass
- 491.5 g/mol
- Monoisotopic mass
- 491.12389518
Names & identifiers
- Preferred name
- PF-573228
- IUPAC
- 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
- English name
- PF 573228
- Molecular formula
- C22H20F3N5O3S
- Molecular weight
- 491.49
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
869288-64-2- PubChem CID
- 11612883
- DTXSID
DTXSID10469447- ChEMBL
CHEMBL514554- ChEBI
CHEBI:91446- EC Number
- 663-602-8
- Nikkaji
- J2.466.074E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 822
Physicochemical properties
- Melting point
- 242 °C · >242°C (dec.)
- Density
- 1.459 · 1.459
- storage temp.
- 2 · 2-8°C
- solubility
- 20 mg/mL · DMSO: ≥20mg/mL
- form
- powder
- pka
- 14.3 · 14.30±0.20(Predicted)
- color
- white to off-white
- InChIKey
- HESLKTSGTIBHJU-UHFFFAOYSA-N
- SMILES
- CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 301 · P301+P310-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 25 · 25-36
- Safety Statements
- 26 · 26-45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)；Eye Irrit. 2 (97.4%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25-36
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-45
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301-H319
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P310-P305+P351+P338
Chemistry & industry
Applications
DescriptionFocal 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.
UsesA 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.
Suppliers50 total
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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海波以尔化工有限公司[email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
ChemeGen 中国18818260767 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
Shanghai Witofly Chemical Co.,Ltd[email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]
武汉佳德瑞峰新材料有限公司18271874579 / 18971104330 18971104330 · [email protected]
上海泽涵生物医药科技有限公司021-61350663 13052117465 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海碧咸医药科技有限公司13816613772 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
湖北威德利化学试剂有限公司18327179646 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
上海百生跃生物科技有限公司4000880777 17585207275 · [email protected]
Additional notes
DefinitionChEBI: 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-3,4-dihydro-1H-quinolin-2-one is a member of quinolines.
Related reactions
2 records
Linked notes
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