DFB - Moligand™, ≥99%(HPLC) , Allosteric modulator of mGlu 5 receptor, CAS No.15332-10-2, Allosteric modulator of mGlu 5 receptor

CAS: 15332-10-2 Cat. No.: D286584 Molecular Weight: 244.24 EC Number: 633-867-4

GRADE & PURITY Moligand™, ≥99%(HPLC)

Synonyms

DTXSID701017667 | EN300-1696069 | 3,3'-Difluorobenzaldazine | EN300-21859824 | AKOS024456711 | CHEBI:92414 | AS-70580 | HY-14611 | NCGC00025238-04 | SCHEMBL12017614 | AKOS003600237 | SR-01000597595-1 | DFB, >=98% (HPLC), solid | N,N''''-Bis-[1-(3-fluoro-p

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

product description：

A positive allosteric modulator for mGlu receptor subtype 5 (EC50 = 2 - 5.3 µM). No agonistic action on mGlu5. Renders 3-6 fold potentiation for Glu5 agonists. No effect on other mGlu receptor subtypes.

Please note that the molecular weight for this compound is batch-specific due to variable water content.

A positive allosteric modulator for mGlu receptor subtype 5 (EC50 = 2 - 5.3 µM). No agonistic action on mGlu5. Renders 3-6 fold potentiation for Glu5 agonists. No effect on other mGlu receptor subtypes.

Specifications

Synonyms

DTXSID701017667 | EN300-1696069 | 3, 3'-Difluorobenzaldazine | EN300-21859824 | AKOS024456711 | CHEBI:92414 | AS-70580 | HY-14611 | NCGC00025238-04 | SCHEMBL12017614 | AKOS003600237 | SR-01000597595-1 | DFB, >=98% (HPLC), solid | N, N''''-Bis-[1-(3-fluoro-p

Specifications & Purity

Moligand™, ≥99%(HPLC)

Biochemical and Physiological Mechanisms

Novel allosteric potentiator of the metabotropic glutamate receptor mGlu5. Devoid of agonist activity itself, but potentiates (3 - 6-fold) the action of agonists at mGlu5without any effect at other mGlu subtypes (EC50for potentiation = 2 - 5.3μM).

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of mGlu 5 receptor

Purity

≥99%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=CC(=CC(=C1)F)C=NN=CC2=CC(=CC=C2)F
• IUPAC Name: (E)-1-(3-fluorophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]methanimine
• InChIKey: YYMCVDNIIFNDJK-BEQMOXJMSA-N
• INCHI: 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+
• Isomeric SMILES: C1=CC(=CC(=C1)F)/C=N/N=C/C2=CC(=CC=C2)F
• Molecular Weight: 244.24
• Reaxy-Rn: 3119388
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3119388&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Aldazines Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Azine - Aryl halide - Aryl fluoride - Aldazine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP1A2 Tchem Cytochrome P450 1A2 (0 Activities)

Discover Target: CYP1A2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GRM5 Tchem Metabotropic glutamate receptor 5 (1 Activities)

Discover Target: GRM5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

Discover Target: ADRA2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)

Discover Target: CHRM5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ARSA Tbio Cerebroside-sulfatase (655 Activities)

Discover Target: ARSA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)

Discover Target: GRM5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)

Discover Target: S1PR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)

Discover Target: C5AR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

U2OS (164939 Activities)

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HEK293 (82097 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CX3CR1 Tchem C-X3-C chemokine receptor 1 (1686 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FPR2 Tchem Lipoxin A4 receptor (3472 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)

Discover Target: FFAR4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)

Discover Target: GPR35

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

Discover Target: NPC1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

Discover Target: RAB9A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BRPF1 Tchem Peregrin (2217 Activities)

Discover Target: BRPF1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HEK-293T (167025 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Aplnr Apelin receptor (201 Activities)

Discover Target: Aplnr

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Saccharomyces cerevisiae (19171 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Gpr119 Glucose-dependent insulinotropic receptor (270 Activities)

Discover Target: Gpr119

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:ethanol, Max Conc. mg/mL: 2.44, Max Conc. mM: 10; Solvent:DMSO, Max Conc. mg/mL: 12.21, Max Conc. mM: 50
• Sensitivity: light sensitive
• Molecular Weight: 244.240 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 244.081 Da
• Monoisotopic Mass: 244.081 Da
• Topological Polar Surface Area: 24.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 274.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

References

1. Ping Li, Hui Guo, Peng Sun, Lei Zhang, Xulei Zhi, Zhongfang Li.  (2022)  N-substitute polyphosphazenes cross-linked hydroxyl-terminated SPEEK high temperature proton exchange membrane to achieve high proton conductivity over low relative humidity.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2022.121159]

2. Jierui Song, Yiming Xiao, Lei Zhang, Jun Xiang, Na Tang, Penggao Cheng, Jianping Zhang, Songbo Wang, Wei Du.  (2021)  Macromolecule sulfonated Poly(ether ether ketone) crosslinked poly(4,4′-diphenylether-5,5′-bibenzimidazole) proton exchange membranes: Broaden the temperature application range and enhanced mechanical properties.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2021.06.055]

3. Danna Shan, Shubo Deng, Conghui He, Jin Li, Hubian Wang, Chengxu Jiang, Gang Yu, Mark R. Wiesner.  (2017)  Intercalation of rigid molecules between carbon nanotubes for adsorption enhancement of typical pharmaceuticals.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2017.09.054]

4. Danna Shan, Shubo Deng, Jin Li, Hubian Wang, Conghui He, Giovanni Cagnetta, Bin Wang, Yujue Wang, Jun Huang, Gang Yu.  (2017)  Preparation of porous graphene oxide by chemically intercalating a rigid molecule for enhanced removal of typical pharmaceuticals.  CARBON,      [PMID:] [10.1016/j.carbon.2017.04.021]

5. Xuan Chen, Qiang Ren, Jingmei Xu, Mengchi Ju, Lingxin Meng, Zhe Wang.  (2023)  Design, transport efficiency and structure-activity relationship of sulfonated poly (aryl ether ketone) proton exchange membrane based on multi-functional MOFs.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2023.143210]

6. Qinfei Xu, Wenhan Xu, Yang Yang, Xin Yin, Chenyi Zhou, Jinxuan Han, Xuefeng Li, Yingshuang Shang, Haibo Zhang.  (2022)  Enhanced interlayer strength in 3D printed poly (ether ether ketone) parts.  Additive Manufacturing,      [PMID:] [10.1016/j.addma.2022.102852]

7. Yunhui Zhang, Qinhong Jiang, Xiaoqian Wu, Xin Qian, Shiheng An, Jie Shen, Jianyu Meng, Shuo Yan.  (2025)  Standardized Synergistic Strategy for Insect Growth Regulators: Incorporation of RNA Pesticides via a Co-Delivery Nanoplatform Achieves High Control Efficacy with Low-Dosage Application.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41035287] [10.1021/acs.jafc.5c08250]