CAS 175013-84-0|Tonabersat

Introduction：Basic information about CAS 175013-84-0|Tonabersat, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Tonabersat BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	Tonabersat
CAS Number	175013-84-0	Molecular Weight	391.82100
Density	1.38g/cm3	Boiling Point	554.5ºC at 760 mmHg
Molecular Formula	C₂₀H₁₉ClFNO₄	Melting Point	/
MSDS	ChineseUSA	Flash Point	289.2ºC
Symbol	GHS07, GHS09	Signal Word	Warning

Names

Name	N-[(3S,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-chloro-4-fluorobenzamide
Synonym	More Synonyms

Tonabersat BiologicalActivity

Description	Tonabersat is a gap-junction modulator.
Related Catalog	Signaling Pathways >>Cytoskeleton >>Gap Junction ProteinResearch Areas >>Neurological Disease
Target	Gap-junction[1]
In Vitro	Tonabersat, a novel benzopyran derivative, inhibits cortical spreading depression (CSD) and therefore might be able to inhibit the early migraine mechanisms[1].
In Vivo	Treatment with either Tonabersat (10 mg/kg) or Meclofenamate (20 mg/kg) as single agents significantly inhibit progression of metastatic lesions. Addition of carboplatin to either agent profoundly inhibits brain metastasis[2].
Animal Admin	Mice[2] Athymic NCR nu/nu mice, Cr:NIH bg-nu-xid mice, B6129SF1/J, C57BL/6J-Tmem173gt/J 'golden ticket', and C57/Bl/6J mice are used at 5-6 weeks of age. For inducible knockdown experiments, mice are given doxycycline hyclate in the drinking water (2 mg/mL) and the diet 14 days after injection of cancer cells. For drug treatment experiments, mice are intraperitoneally injected with Carboplatin (5 mg/kg per 5 days), Tonabersat (MedChem Express) (10 mg/kg per day), or meclofenamic acid sodium salt (20 mg/kg per day). Vehicle (10% DMSO in polyethylene glycol 400) is used in control mice. Quantification of tumour burden is by Bio-luminescent imaging (BLI), performed using an IVIS Spectrum Xenogen instrument and analysed using Living Image software v.2.50.
References	[1]. Silberstein SD, et al. Tonabersat, a gap-junction modulator: efficacy and safety in two randomized, placebo-controlled, dose-ranging studies of acute migraine. Cephalalgia. 2009 Nov;29 Suppl 2:17-27. [2]. Chen Q, et al. Carcinoma-astrocyte gap junctions promote brain metastasis by cGAMP transfer. Nature. 2016 May 18;533(7604):493-8. [3]. Kim Y, et al. Tonabersat Prevents Inflammatory Damage in the Central Nervous System by Blocking Connexin43 Hemichannels. Neurotherapeutics. 2017 May 30.

Chemical & Physical Properties

Density	1.38g/cm3
Boiling Point	554.5ºC at 760 mmHg
Molecular Formula	C₂₀H₁₉ClFNO₄
Molecular Weight	391.82100
Flash Point	289.2ºC
Exact Mass	391.09900
PSA	75.63000
LogP	4.07560
Vapour Pressure	3.94E-13mmHg at 25°C
Index of Refraction	1.612
InChIKey	XLIIRNOPGJTBJD-ROUUACIJSA-N
SMILES	CC(=O)c1ccc2c(c1)C(NC(=O)c1ccc(F)c(Cl)c1)C(O)C(C)(C)O2
Storage condition	2-8℃

Safety Information

Symbol	GHS07, GHS09
Signal Word	Warning
Hazard Statements	H315-H319-H400
Precautionary Statements	P273-P280-P305 + P351 + P338-P337 + P313-P391
RIDADR	UN 3077 9 / PGIII

Synonyms

Tonabersat

Tonabersat [BAN,INN]

UNII-2XD9773ZMN

USL-260

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