Plinabulin
Grundinformationen
- CAS
714272-27-2- Standard-SMILES
CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O- InChIKey
UNRCMCRRFYFGFX-TYPNBTCFSA-N- Summenformel
- C19H20N4O2
- Durchschnittliche Molmasse
- 336,4 g/mol
- Monoisotopische Masse
- 336,15862589
Überblick
Plinabulin is a member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione substituted by benzylidene and (5-tert-butyl-1H-imidazol-4-yl)methylidene groups at positions 3 and 6, respectively. It is a vascular disrupting agent and a microtubule destabalising agent which was in clinical trials (now discontinued) for the treatment of non-small cell lung cancer. It has a role as an antineoplastic agent, an angiogenesis inhibitor, a microtubule-destabilising agent and an apoptosis inducer. It is a member of benzenes, a member of imidazoles, a member of 2,5-diketopiperazines and an olefinic compound.
Namen und Bezeichner
- Bevorzugter Name
- Plinabulin
- IUPAC
- (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
- Englischer Name
- Plinabulin(NPI-2358)
- Summenformel
- C19H20N4O2
- Molmasse
- 336.39
Namen und Synonyme
Plinabulin714272-27-2NPI-2358plinabulinaplinabulineplinabulinumNPI 2358986FY7F8XRNPI23582,5-Piperazinedione, 3-((5-(1,1-dimethylethyl)-1H-imidazol-4-yl)methylene)-6-(phenylmethylene)-, (3Z,6Z)-CHEBI:177413DTXSID201031311
Weitere Namen anzeigen
CS-829EOS-62083NSC406141NSC 406141NSC-406141Plinabulin, >=98%Plinabulin(NPI-2358)
RefChem:863841DTXCID101516316(3Z,6Z)-3-((5-tert-butyl-1H-imidazol-4-yl)methylidene)-6-(phenylmethylidene)piperazine-2,5-dione(3Z,6Z)-6-BENZYLIDENE-3-((5-(1,1-DIMETHYLETHYL)-1H-IMIDAZOL-4-YL)METHYLIDENE)PIPERAZINE-2,5-DIONEPlinabulin (NPI-2358)Plinabulin [USAN:INN](3z,6z)-3-Benzylidene-6-[(5-Tert-Butyl-1h-Imidazol-4-Yl)methylidene]piperazine-2,5-DioneUNII-986FY7F8XR
Datenbank-Bezeichner
- CAS
714272-27-2- PubChem CID
- 9949641
- DTXSID
DTXSID201031311- ChEMBL
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 86,9 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 597
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Dichte
- 1.267 · 1.267
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- Soluble in DMSO
- Aggregatzustand
- Powder
- Farbe
- Light yellow to yellow
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Pharmakologische Informationen
Mechanism of Action
NPI-2358 is a vascular disrupting agent currently in clinical development for the treatment of cancer by Nereus. NPI-2358 is one of over 200 synthetic analogues that were prepared following the discovery of the compound Halimide isolated from a marine fungus. In preclinical models of cancer, including lung, breast, sarcoma, colon and prostate, NPI-2358 demonstrated potent and selective anti-tumor effects in combination with docetaxel and other oncology therapies, as well as single-agent efficacy in a number of orthotopic models. NPI-2358 interacts with soluble beta-tubulin and prevents the polymerization of tubulin without altering dynamic microtubule function of formed microtubules. As demonstrated in preclinical testing, this target profile results in a highly specific nanomolar cytotoxicity while reducing the side effects seen in first-generation VDAs due to cardiotoxicity, hemodynamic changes and neuropathies.
Anbieter97 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
杭州品高化工有限公司
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