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3,3'-Difluorobenzaldazine structure, CAS 15332-10-2

3,3'-Difluorobenzaldazine

CAS Number15332-10-2

Synonymsm-Fluor-benzaldazin; 3,3'-Difluorobenzaldazine; 3,3'-DIFLUOROBENZALDAZINE; DFB

Molecular FormulaC14H10F2N2

Molecular Weight244.23900

Purity

Density1.12g/cm3

Boiling Point326.6ºC at 760mmHg

Melting Point

Flash Point

Appearance

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Cat. No.: 2A-9084076 Purity:
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Quality Control of [ 15332-10-2 ] SDS Specification MoL

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Chemical & Physical Properties
CAS Number15332-10-2
Catalog No.2A-9084076
Chinese Name3,3'-Difluorobenzaldazine
Synonymsm-Fluor-benzaldazin; 3,3'-Difluorobenzaldazine; 3,3'-DIFLUOROBENZALDAZINE; DFB
Molecular FormulaC14H10F2N2
Molecular Weight244.23900
Density1.12g/cm3
Boiling Point326.6ºC at 760mmHg
Storage Condition2-8°C, protected from light
Application3,3'-Difluorobenzaldazine (DFB) is a selective mGluR5 positive allosteric modulator. 3,3'-Difluorobenzaldazine potentiates the effects of mGlu5 agonists (Glutamate, Quisqualate, 3,5-Dihydroxyphenylgly
HTC2928000090
SMILESFc1cccc(C=NN=Cc2cccc(F)c2)c1
InChIInChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9-,18-10-
InChI KeyYYMCVDNIIFNDJK-UHFFFAOYSA-N
Hazard Symbolstransportation
MSDSmsds/84076_2_15332_10_2.pdf
Bioactivity3,3'-Difluorobenzaldazine (DFB) is a selective positive allosteric modulator of mGluR5. 3,3'-Difluorobenzaldazine potentiates 3- to 6-fold action for mGlu5 agonists (Glutamate, Quisqualate, and 3,5-Dihydroxyphenylglycine), with EC50s in the 2 to 5 μM range[1]. Related Catalog Signaling Pathways >> GPCR/G Protein >> mGluR Research Areas >> Neurological Disease In Vitro 3,3'-Difluorobenzaldazine (DFB) causes a concentration-dependent potentiation of the response of human mGluR5 CHO cells to 300 nM glutamate in this assay. The maximal potentiation at this concentration of glutamate is approximately 3.1-fold, with an EC50 for potentiation of 2.6 μM. 3,3'-Difluorobenzaldazine causes similar potentiation of the responses of both human mGluR5 and rat mGluR5 CHO cells to glutamate, quisqualate, and DHPG with comparable potencies[1]. In Vivo 3,3'-Difluorobenzaldazine (40-100 nmol; icv) attenuates the locomotor hyperactivity, motor incoordination, and cognitive impairment induced by Ketamine[2]. Animal Model: Male NMRI and ICR mice (8-9 weeks, 33-40 g)[2] Dosage: 40-100 nmol (~9.7-24.4 μg) Administration: ICV Result: Attenuated the locomotor hyperactivity, motor incoordination, and cognitive impairment induced by Ketamine. References [1]. O'Brien JA, et al, Chen TB, et al. A family of highly selective allosteric modulators of the metabotropic glutamate receptor subtype 5. Mol Pharmacol. 2003;64(3):731-740. [2]. O'Brien JA, et al. A family of highly selective allosteric modulators of the metabotropic glutamate receptor subtype 5. Mol Pharmacol. 2003;64(3):731-740. Chemical & Physical Properties Density 1.12g/cm3 Boiling Point 326.6ºC at 760mmHg Molecular Formula C14H10F2N2 Molecular Weight 244.23900 Flash Point 151.3ºC Exact Mass 244.08100 PSA 24.72000 LogP 3.41780 Vapour Pressure 0.000406mmHg at 25°C Index of Refraction 1.539 InChIKey YYMCVDNIIFNDJK-UHFFFAOYSA-N SMILES Fc1cccc(C=NN=Cc2cccc(F)c2)c1
Use of3,3'-Difluorobenzaldazine (DFB) is a selective positive allosteric modulator of mGluR5. 3,3'-Difluorobenzaldazine potentiates 3- to 6-fold action for mGlu5 agonists (Glutamate, Quisqualate, and 3,5-Dihydroxyphenylglycine), with EC50s in the 2 to 5 μM range[1]. Properties Name DFB,[(3-Fluorophenyl)methylene]hydrazone-3-fluorobenzaldehyde Synonym More Synonyms DFB Biological Activity Description 3,3'-Difluorobenzaldazine (DFB) is a selective positive allosteric modulator of mGluR5. 3,3'-Difluorobenzaldazine potentiates 3- to 6-fold action for mGlu5 agonists (Glutamate, Quisqualate, and 3,5-Dihydroxyphenylglycine), with EC50s in the 2 to 5 μM range[1]. Related Catalog Signaling Pathways >> GPCR/G Protein >> mGluR Research Areas >> Neurological Disease References [1]. O'Brien JA, et al, Chen TB, et al. A family of highly selective allosteric modulators of the metabotropic glutamate receptor subtype 5. Mol Pharmacol. 2003;64(3):731-740. [2]. O'Brien JA, et al. A family of highly selective allosteric modulators of the metabotropic glutamate receptor subtype 5. Mol Pharmacol. 2003;64(3):731-740. Chemical & Physical Properties Molecular Formula C14H10F2N2 Exact Mass 244.08100 PSA 24.72000 LogP 3.41780 Index of Refraction 1.539 InChIKey YYMCVDNIIFNDJK-UHFFFAOYSA-N
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MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 United Nations shipping name European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (3,3'- Difluorobenzaldazine) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (3,3'- Difluorobenzaldazine) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. (3,3'-Difluorobenzaldazine) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations International Air Transport Dangerous Regulations: Yes Marine Pollutants (Yes/No): Yes 14.6 Special reminder to users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3),
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