Details
Stereochemistry | ACHIRAL |
Molecular Formula | C12H14FNO |
Molecular Weight | 207.2441 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC(=N/O)\C(C)=C\C1=CC=C(F)C=C1
InChI
InChIKey=HKROEBDHHKMNBZ-CHBKHGQFSA-N
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+
Molecular Formula | C12H14FNO |
Molecular Weight | 207.2441 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/24102997Curator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/21402443 | https://www.ncbi.nlm.nih.gov/pubmed/28935134
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24102997
Curator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/21402443 | https://www.ncbi.nlm.nih.gov/pubmed/28935134
A-967079 is a potent, selective, and orally bioavailable inhibitor of the TRPA1 channel, developed by developed by Abbott Laboratories for treatment pain disorder. A-967079 potently blocks human and rat TRPA1 channels. A-967079 is 1000-fold selective over other TRP channels and is 150-fold selective over 75 other ion channels, enzymes, and G-protein-coupled receptors. Oral dosing of A-967079 produces robust drug exposure in rodents and exhibits analgesic efficacy in allyl isothiocyanate-induced nocifensive response and osteoarthritic pain in rats. A-967079 attenuates cold allodynia produced by nerve injury but does not alter noxious cold sensation in naive animals, suggesting distinct roles of TRPA1 in physiological and pathological states. Unlike TRPV1 antagonists, A-967079 does not alter body temperature. It also does not produce locomotor or cardiovascular side effects.
CNS Activity
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL6007 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21402443 |
51.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21402443 |
Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21402443
2 mg/kg
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21402443
HEK-293F cells were used for activity evaluation. HEK-293Fcells were transiently transfected with human or rat TRPA1 plus green fluorescent protein. In cells expressing human TRPA1 (held at -60 mV), AITC (100 mkmol/L) elicited robust inward currents, which were subsequently blocked by co-application of A-967079 in a concentration-dependent manner
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:57:40 GMT 2023
by
admin
on
Sat Dec 16 10:57:40 GMT 2023
|
Record UNII |
S15N98QQ2K
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Common Name | English | ||
|
Systematic Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
42641861
Created by
admin on Sat Dec 16 10:57:40 GMT 2023 , Edited by admin on Sat Dec 16 10:57:40 GMT 2023
|
PRIMARY | |||
|
S15N98QQ2K
Created by
admin on Sat Dec 16 10:57:40 GMT 2023 , Edited by admin on Sat Dec 16 10:57:40 GMT 2023
|
PRIMARY | |||
|
1170613-55-4
Created by
admin on Sat Dec 16 10:57:40 GMT 2023 , Edited by admin on Sat Dec 16 10:57:40 GMT 2023
|
PRIMARY | |||
|
DTXSID301336554
Created by
admin on Sat Dec 16 10:57:40 GMT 2023 , Edited by admin on Sat Dec 16 10:57:40 GMT 2023
|
PRIMARY | |||
|
A-967079
Created by
admin on Sat Dec 16 10:57:40 GMT 2023 , Edited by admin on Sat Dec 16 10:57:40 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |