A-967079

A-967079
Identifiers
	IUPAC name (1E,3E)-1-(4-fluorophenyl)-2-methyl-1-penten-3-one oxime;
CAS Number	1170613-55-4;
PubChem CID	60150207;
ChemSpider	28294676;
UNII	S15N98QQ2K;
ChEMBL	ChEMBL3697710;
Chemical and physical data
Formula	C12H14FNO
Molar mass	207.248 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC/C(=N/O)/C(=C/C1=CC=C(C=C1)F)/C;
	InChI InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12-; Key:HKROEBDHHKMNBZ-BYKJOZEVSA-N;

A-967079 is a drug which acts as a potent and selective antagonist for the TRPA1 receptor. It has analgesic and antiinflammatory effects and is used in scientific research, but has not been developed for medical use.^[1]^[2]^[3]^[4]^[5]

References

^ Chen J, Joshi SK, DiDomenico S, Perner RJ, Mikusa JP, Gauvin DM, et al. (May 2011). "Selective blockade of TRPA1 channel attenuates pathological pain without altering noxious cold sensation or body temperature regulation". Pain. 152 (5): 1165–72. doi:10.1016/j.pain.2011.01.049. PMID 21402443. S2CID 21881155.
^ Wei H, Karimaa M, Korjamo T, Koivisto A, Pertovaara A (July 2012). "Transient receptor potential ankyrin 1 ion channel contributes to guarding pain and mechanical hypersensitivity in a rat model of postoperative pain". Anesthesiology. 117 (1): 137–48. doi:10.1097/ALN.0b013e31825adb0e. PMID 22588108. S2CID 287826.
^ Banzawa N, Saito S, Imagawa T, Kashio M, Takahashi K, Tominaga M, Ohta T (November 2014). "Molecular basis determining inhibition/activation of nociceptive receptor TRPA1 protein: a single amino acid dictates species-specific actions of the most potent mammalian TRPA1 antagonist". The Journal of Biological Chemistry. 289 (46): 31927–39. doi:10.1074/jbc.M114.586891. PMC 4231671. PMID 25271161.
^ Koivisto A, Chapman H, Jalava N, Korjamo T, Saarnilehto M, Lindstedt K, Pertovaara A (January 2014). "TRPA1: a transducer and amplifier of pain and inflammation". Basic & Clinical Pharmacology & Toxicology. 114 (1): 50–5. doi:10.1111/bcpt.12138. PMID 24102997.
^ Achanta S, Chintagari NR, Brackmann M, Balakrishna S, Jordt SE (September 2018). "TRPA1 and CGRP antagonists counteract vesicant-induced skin injury and inflammation". Toxicology Letters. 293: 140–148. doi:10.1016/j.toxlet.2018.03.007. PMC 5975083. PMID 29535050.

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[1] Chen J, Joshi SK, DiDomenico S, Perner RJ, Mikusa JP, Gauvin DM, et al. (May 2011). "Selective blockade of TRPA1 channel attenuates pathological pain without altering noxious cold sensation or body temperature regulation". Pain. 152 (5): 1165–72. doi:10.1016/j.pain.2011.01.049. PMID 21402443. S2CID 21881155.

[2] Wei H, Karimaa M, Korjamo T, Koivisto A, Pertovaara A (July 2012). "Transient receptor potential ankyrin 1 ion channel contributes to guarding pain and mechanical hypersensitivity in a rat model of postoperative pain". Anesthesiology. 117 (1): 137–48. doi:10.1097/ALN.0b013e31825adb0e. PMID 22588108. S2CID 287826.

[3] Banzawa N, Saito S, Imagawa T, Kashio M, Takahashi K, Tominaga M, Ohta T (November 2014). "Molecular basis determining inhibition/activation of nociceptive receptor TRPA1 protein: a single amino acid dictates species-specific actions of the most potent mammalian TRPA1 antagonist". The Journal of Biological Chemistry. 289 (46): 31927–39. doi:10.1074/jbc.M114.586891. PMC 4231671. PMID 25271161.

[4] Koivisto A, Chapman H, Jalava N, Korjamo T, Saarnilehto M, Lindstedt K, Pertovaara A (January 2014). "TRPA1: a transducer and amplifier of pain and inflammation". Basic & Clinical Pharmacology & Toxicology. 114 (1): 50–5. doi:10.1111/bcpt.12138. PMID 24102997.

[5] Achanta S, Chintagari NR, Brackmann M, Balakrishna S, Jordt SE (September 2018). "TRPA1 and CGRP antagonists counteract vesicant-induced skin injury and inflammation". Toxicology Letters. 293: 140–148. doi:10.1016/j.toxlet.2018.03.007. PMC 5975083. PMID 29535050.

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Identifiers

IUPAC name (1E,3E)-1-(4-fluorophenyl)-2-methyl-1-penten-3-one oxime
CAS Number	1170613-55-4
PubChem CID	60150207
ChemSpider	28294676
UNII	S15N98QQ2K
ChEMBL	ChEMBL3697710
Chemical and physical data
Formula	C₁₂H₁₄FNO
Molar mass	207.248 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC/C(=N/O)/C(=C/C1=CC=C(C=C1)F)/C
InChI InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12- Key:HKROEBDHHKMNBZ-BYKJOZEVSA-N