Tasisulam
Grundinformationen
- CAS
519055-62-0- Standard-SMILES
O=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl- InChIKey
WWONFUQGBVOKOF-UHFFFAOYSA-N- Summenformel
- C11H6BrCl2NO3S2
- Durchschnittliche Molmasse
- 415,1 g/mol
- Monoisotopische Masse
- 412,83495
Überblick
Tasisulam is a thiophene substituted by a 2,4-dichlorobenzamide-N-sulfonyl and bromo groups at positions 2 and 4, respectively. It induces tumour cell apoptosis via ROS induction and mitochondrial membrane potential loss and currently in clinical development for the treatment of cancer. It has a role as an antineoplastic agent, an angiogenesis inhibitor and an apoptosis inducer. It is a dichlorobenzene, a member of thiophenes, an organobromine compound and a N-sulfonylcarboxamide.
Namen und Bezeichner
- Bevorzugter Name
- Tasisulam
- IUPAC
- N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide
- Englischer Name
- Tasisulam
- Summenformel
- C11H6BrCl2NO3S2
- Molmasse
- 415.11
Namen und Synonyme
Tasisulam519055-62-0LY573636N-(2,4-Dichlorobenzoyl)-5-bromothiophene-2-sulfonamideLY-573636N-((5-BROMOTHIOPHEN-2-YL)SULFONYL)-2,4-DICHLOROBENZAMIDE1YC4W9MSLJN-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamideDTXSID20199869tasisulamumRefChem:187489DTXCID30122360
Weitere Namen anzeigen
CS-519TS81557TssolanLY573636-sodiumTasisulam, >=98%Tasisulam(Ly-573636Tasisulam USP/EP/BP
965-512-7Tasisulam [INN]LY 573636N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamideTasisulam (sodium)MFCD11973637LY 573636 (sodium)Tasisulam(LY573636)
Datenbank-Bezeichner
- CAS
519055-62-0- PubChem CID
- 10160238
- DTXSID
DTXSID20199869- ChEMBL
CHEMBL2110587- ChEBI
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 99,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 471
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Dichte
- 1.812 · 1.812
- storage temp.
- -20 ° · Store at -20° C
- Löslichkeit
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; Ethanol: 10 mg/ml; PBS (pH 7.2): 0.2 mg/ml
- Aggregatzustand
- A crystalline solid
- pka
- 3.45 · 3.45±0.10(Predicted)
- Farbe
- Light yellow to yellow
- InChI
- InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)
- InChIKey
- WWONFUQGBVOKOF-UHFFFAOYSA-N
- SMILES
- C(NS(C1SC(Br)=CC=1)(=O)=O)(=O)C1=CC=C(Cl)C=C1Cl
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenThe sodium salt of Tasisulam has potential antineoplastic activity. Selectively toxic towards tumor cells, tasisulam appears to induce tumor cell apoptosis by a mitochondrial-targeted mechanism involving the loss of mitochondrial membrane potential and induction of reactive oxygen species (ROS).
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter85 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
上海波以尔化工有限公司[email protected]
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