PTP Inhibitor V, PHPS1
Grundinformationen
- CAS
314291-83-3- Standard-SMILES
O=c1c(N=Nc2ccc(CS(=O)(=O)O)cc2)c(-c2ccc(C[N+](=O)[O-])cc2)[nH]n1-c1ccccc1- InChIKey
VIQSBJOMLQLAKC-UHFFFAOYSA-N- Summenformel
- C23H19N5O6S
- Durchschnittliche Molmasse
- 493,5 g/mol
- Monoisotopische Masse
- 493,10560452
Namen und Bezeichner
- Bevorzugter Name
- PTP Inhibitor V, PHPS1
- IUPAC
- [4-[[5-[4-(nitromethyl)phenyl]-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]phenyl]methanesulfonic acid
- Englischer Name
- PTP Inhibitor V, PHPS1
- Summenformel
- C21H15N5O6S
- Molmasse
- 465.44
Namen und Synonyme
PTP Inhibitor V, PHPS1orb1218179C23H19N5O6SDTXSID50849486PMA29183MFCD01079012AKOS025295138E85232[4-(2-{3-[4-(Nitromethyl)phenyl]-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazin-1-yl)phenyl]methanesulfonic acid[4-(2-{3-[4-(Nitromethyl)phenyl]-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)phenyl]methanesulfonic acid[4-[(2Z)-2-[3-[4-(nitromethyl)phenyl]-5-oxo-1-phenyl-pyrazol-4-ylidene]hydrazino]phenyl]methanesulfonic acidPHPS1
Weitere Namen anzeigen
PHPS1 sodium saltPHPS1, 10 mM in DMSOPHPS1 sodium salt hydratePTP Inhibitor V, PHPS1 - CAS 314291-83-3 - Calbiochem4-(2-(3-(4-Nitrophenyl)-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)benzenesulfonic acidBenzenesulfonic acid, 4-[2-[1,5-dihydro-3-(4-nitrophenyl)-5-oxo-1-phenyl-4H-pyrazol-4-ylidene]hydrazinyl]-4-(2-(3-(4-nitromethylphenyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene) hydrazinyl) phenylmethanesulfonic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 166 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 934
Physikochemische Eigenschaften
- Dichte
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 10 mg/mL, · DMSO: soluble10mg/mL, clear (warmed)
- pka
- -2.9 · -2.90±0.40(Predicted)
- Aggregatzustand
- solid
- Farbe
- red
- InChI
- InChI=1S/C21H15N5O6S/c27-21-20(23-22-15-8-12-18(13-9-15)33(30,31)32)19(14-6-10-17(11-7-14)26(28)29)24-25(21)16-4-2-1-3-5-16/h1-13,22H,(H,30,31,32)
- InChIKey
- VIQSBJOMLQLAKC-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=CC=C(NN=C2C(=O)N(C3=CC=CC=C3)N=C2C2=CC=C([N+]([O-])=O)C=C2)C=C1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 2
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
BeschreibungPTP Inhibitor V, PHPS1 is a cell-permeable phosphotyrosine mimetic that acts as a reversible, active-site targeting, substrate-competitive inhibitor of SH-PTP2 (Shp-2) (IC50 and Ki = 2.1 and 0.73μM, respectively). PHPS1 inhibits PCPTP1 (ECPTP), PTP1B, SH-PTP1 (Shp1), mycobacterium MptpA only at higher concentrations (IC50 ;= 5.4, 19, 30, and 39 μM, respectively) and exhibits little activity against PTPH1, STEP, PTPN7, PTPRK, GLEPP1, or LAR2 even at concentrations as high as 50 μM. PTP Inhibitor V, PHPS1 has been shown to inhibit Shp-2-dependent cellular signaling and tumor cell colonies formation
VerwendenPhenylhydrazono pyrazolone sulfonate 1 (PHPS1) sodium salt hydrate has been used as a protein-tyrosine phosphatase (shp2) inhibitor to study its effects on bisphenol A (BPA) and nonyl phenol (NP)-induced cell proliferation of MCF7 cell. It has also been used as a shp2 inhibitor to study its pro-atherosclerotic or atheroprotective effect in vivo and in vitro.
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陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
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