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4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID, also known as a photoreactive aromatic diazirine, is a chemical compound characterized by its highly photolabile label that can be fixed to biochemical agents. This unique property allows it to be used in various applications across different industries.

85559-46-2

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85559-46-2 Usage

Uses

Used in Photochemistry:
4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID is used as a photoreactive probe for studying the structure and function of biomolecules. Its photolability enables the investigation of molecular interactions and dynamics upon exposure to light.
Used in Biochemistry:
In the field of biochemistry, 4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID is used as a cross-linking agent to covalently attach biomolecules, such as proteins and nucleic acids, to their binding partners. This facilitates the identification and characterization of molecular interactions and complexes.
Used in Drug Development:
4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID is employed as a molecular tool in drug discovery and development. Its ability to form covalent bonds with target proteins allows for the development of targeted therapies and the study of protein function and inhibition.
Used in Materials Science:
In materials science, 4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID is used as a photoreactive component in the synthesis of advanced materials with unique properties. Its photolability can be harnessed to create materials with tailored characteristics and functions.
Overall, 4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID is a versatile compound with a wide range of applications in various scientific and industrial fields, owing to its photoreactive nature and ability to form covalent bonds with biomolecules.

Check Digit Verification of cas no

The CAS Registry Mumber 85559-46-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,5,5,5 and 9 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 85559-46:
(7*8)+(6*5)+(5*5)+(4*5)+(3*9)+(2*4)+(1*6)=172
172 % 10 = 2
So 85559-46-2 is a valid CAS Registry Number.
InChI:InChI=1/C9H5F3N2O2/c10-9(11,12)8(13-14-8)6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16)

85559-46-2 Well-known Company Product Price

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  • TCI America

  • (T2820)  4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid  >98.0%(HPLC)(T)

  • 85559-46-2

  • 200mg

  • 990.00CNY

  • Detail
  • TCI America

  • (T2820)  4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid  >98.0%(HPLC)(T)

  • 85559-46-2

  • 1g

  • 3,450.00CNY

  • Detail

85559-46-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid

1.2 Other means of identification

Product number -
Other names 4-[3-(fluoromethyl)-3H-diazirin-3-yl]benzoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:85559-46-2 SDS

85559-46-2Relevant academic research and scientific papers

SMALL MOLECULE MODULATORS OF PCSK9 AND METHODS OF USE THEREOF

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Paragraph 0363; 0373, (2016/02/22)

A compound of Formula (I): or a pharmaceutically acceptable salt, hydrate, solvate, or racemic mixture or stereoisomer thereof, and methods for preventing or treating an LDL-cholesterol-related disease or disorder using such compound(s), and kits and comp

Alternative one-pot synthesis of (trifluoromethyl)phenyldiazirines from tosyloxime derivatives: Application for new synthesis of optically pure diazirinylphenylalanines for photoaffinity labeling

Wang, Lei,Murai, Yuta,Yoshida, Takuma,Ishida, Akiko,Masuda, Katsuyoshi,Sakihama, Yasuko,Hashidoko, Yasuyuki,Hatanaka, Yasumaru,Hashimoto, Makoto

, p. 616 - 619 (2015/03/04)

Alternative one-pot synthesis of 3-(trifluoromethyl)-3-phenyldiazirine derivatives from corresponding tosyloximes is developed. The deprotonation of intermediate diaziridine by NH2- is a new approach for construction of diazirine. Moreover, a novel synthesis of optically pure (trifluoromethyl)diazirinylphenylalanine derivatives was attempted involving these methods.

Tri- and tetravalent photoactivable cross-linking agents

Welle, Alexandre,Billard, Francois,Marchand-Brynaert, Jacqueline

supporting information; experimental part, p. 2249 - 2254 (2012/10/08)

A modular synthesis of photoactivable cross-linking agents is described, using an aromatic core, di- or triethyleneglycol spacers and photoaffinity labeling synthons that feature either perfluorophenyl azide or aryl(trifluoromethyl)diazirine motifs. Symmetrical and nonsymmetrical trivalent structures were obtained from phloroglucinol and dopamine, respectively. Symmetrical tetravalent structures resulted from the coupling of two dopamine derivatives with oxalyl chloride. Georg Thieme Verlag Stuttgart New York.

Comparing lipid photo-cross-linking efficacy of penetratin analogues bearing three different photoprobes: Dithienyl ketone, benzophenone, and trifluoromethylaryldiazirine

Jiao, Chen-Yu,Alves, Isabel D.,Point, Vanessa,Lavielle, Solange,Sagan, Sandrine,Chassaing, Gérard

experimental part, p. 352 - 359 (2011/01/04)

Photoactivatable penetratin analogues bearing three different photoprobes, which do not disturb the membranotropic properties of the peptides, have been tested for their photo-cross-linking efficacy in glycerol and lipid media. In the case of glycerol, photo-cross-linking was observed, whereas in the case of SDS (used as a membrane model system), the dynamics of the SDS/penetratin assemblies and the photosensitizer properties of the probes prevented the cross-linking between the peptide and SDS. Bilayers of DMPG were partially photo-cross-linked by the penetratin analogues containing either a benzophenone or a trifluoromethylaryl-diazirine, whereas dithienyl ketone acted exclusively as a photosensitizer. The characterization by MALDI-TOF mass spectrometry of the photoadducts formed after irradiation required basic hydrolysis of DMPG for an efficient capture of the biotinylated peptide analogues with streptavidin-coated magnetic beads. MALDI-TOF analysis of the photoadducts between the photoactivatable penetratin and DMPG allowed an unambiguous identification of the covalent bond formed with the lipids. Altogether, we show herein that the efficacy of the lipid photo-cross-linking depends on the environment, the dynamics of the supramolecular assembly, and the physicochemical properties of the photoprobe.

Convenient synthesis of a [1-14C]diazirinylbenzoic acid as a photoaffinity label for binding studies of V-ATPase inhibitors

Bender, Tobias,Huss, Markus,Wieczorek, Helmut,Grond, Stephanie,Von Zezschwitz, Paultheo

, p. 3870 - 3878 (2008/02/13)

Diazirine-tagged systems are considered reliable compounds for photoaffinity labeling (PAL) in biochemical studies as they enable investigation and understanding of biological mechanisms through covalent bonding to the target and subsequent detection. 14C-labeled 4-(3-trifluoromethyl-3H- diazirin-3-yl)benzoic acid (11) was prepared by a lithium-bromide exchange on the bis-silylated 4-bromophenyldiaziridine 19 with subsequent transformations with electrophiles as key steps of the synthesis. Using 14CO 2, which was generated from rather inexpensive Ba14CO 3, the desired diaziridinylbenzoic acid 21 was obtained in 78% yield based on the employed radioactive material. Oxidation under mild conditions then yielded diazirine 11 in a 100 mg scale. This versatile photoaffinity label was selectively attached to the tetrahydropyrane ring of bafilomycin A1 (2) and concanamycin A-derived 3, which both specifically inhibit the V-ATPases. Inhibition assays were performed and revealed that the inhibitory capacities of the labeled derivatives are suitable for PAL studies on this important group of enzymes to elucidate the as yet unknown binding sites. Wiley-VCH Verlag GmbH & Co. KGaA, 2007.

Grafting organic and biomolecules on H-terminated porous silicon from a diazirine

Wei, Shuai,Wang, Jing,Guo, Dong-Jie,Chen, Ya-Qing,Xiao, Shou-Jun

, p. 1172 - 1173 (2007/10/03)

A diazirine compound, 1,4-(1-azi-2,2,2-trifluoroethyl)benzoic acid, was used as a stable carbene precursor to react with Si-H terminated porous silicon (PSi) under microwave irradiation. After formation of a molecular monolayer, the end carboxyl group was

Synthesis and tritium labeling of new aromatic diazirine building blocks for photoaffinity labeling and cross-linking

Ambroise, Yves,Pillon, Florence,Mioskowski, Charles,Valleix, Alain,Rousseau, Bernard

, p. 3961 - 3964 (2007/10/03)

The synthesis of three bifunctional 3-phenyl-3-(trifluoromethyl)diazirinyl building blocks is described. These compounds were designed for their potential chemical reactivity toward a wide range of functional groups occurring in proteins and small molecul

Photoaffinity radioligand for NADH:ubiquinone oxidoreductase: [S- C3H2] (Trifluoromethyl)diazirinyl-pyridaben

Latli, Bachir,Morimoto, Hiromi,Williams, Philip G.,Casida, John E.

, p. 191 - 199 (2007/10/03)

Pyridaben is a new and very potent insecticide and miticide that acts by inhibiting the activity of NADH:ubiquinone oxidoreductase (the most complex of all the respiratory enzymes). The binding site, presumed to be the same as that of rotenone and fenazaq

Photoaffinity labeling of the ligand-interacting helix of the retinoic acid receptor alpha

Sasaki, Toru,Morisaki, Naoko,Iwasaki, Shigeo,Kagechika, Hiroshi,Fukasawa, Hiroshi,Shudo, Koichi,Shida, Yasuo,Hashimoto, Yuichi

, p. 913 - 916 (2007/10/03)

Two photoaffinity-labeling probes for retinoic acid receptor (RAR) α, 4-[(3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)carboxamido]benzoic acid (3DIAM) and its para-isomer (4DIAM), were designed and synthesized. Both compounds possess high affinity for

Synthesis and characterization of novel photoreactive naltrexone analogs as isomeric carbene-generating probes for opioid receptors

Hatanaka, Yasumaru,Nakamura, Norio,Wakabayashi, Miwa,Fujioka, Toshiyuki,Kikuchi, Tohru

, p. 519 - 522 (2007/10/03)

A convenient synthesis of m- and p-CF3-diazirinylbenzoic acid was developed. A pair of novel photoaffinity probes bearing these diazirines on a naltrexyl framework bind reversibly with high affinity at μ-, δ-, and κ- receptors.

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