Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H21N3O2.ClH |
| Molecular Weight | 371.861 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO
InChI
InChIKey=LJTSJTWIMOGKRJ-UHFFFAOYSA-N
InChI=1S/C20H21N3O2.ClH/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25;/h2-9,25H,10-13H2,1H3,(H,21,24);1H
| Molecular Formula | C20H21N3O2 |
| Molecular Weight | 335.3996 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionCurator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/26086931 | https://www.ncbi.nlm.nih.gov/pubmed/25637120 | https://www.ncbi.nlm.nih.gov/pubmed/23964961 | https://www.ncbi.nlm.nih.gov/pubmed/20614936 | https://www.ncbi.nlm.nih.gov/pubmed/28131906
Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/26086931 | https://www.ncbi.nlm.nih.gov/pubmed/25637120 | https://www.ncbi.nlm.nih.gov/pubmed/23964961 | https://www.ncbi.nlm.nih.gov/pubmed/20614936 | https://www.ncbi.nlm.nih.gov/pubmed/28131906
Tubastatin A is a potent and selective HDAC6 inhibitor with IC50 of 15 nM in a cell-free assay. Tubastatin A is a very selective HDAC6 inhibitor with 100 to over 1000-fold selectivity for HDAC6 over other HDAC classes. Tubastatin A increases the total numbers of mitochondria and restores the number of moving mitochondria in DRG neurons. It reverses the axonal loss in peripheral neurons in the mouse model of Charcot-Marie-Tooth disease. Tubastatin A inhibits the deacetylation of α-tubulin in murine myoblasts.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL1865 |
15.0 nM [IC50] | ||
Target ID: CHEMBL3192 |
854.0 nM [IC50] | ||
Target ID: CHEMBL325 |
16400.0 nM [IC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
|||
| Primary | Unknown Approved UseUnknown |
Sample Use Guides
rTg4510 mice were used for activity evaluation. Tubastatin A was administered using daily intraperitoneal injections into rTg4510 mice and nontransgenic littermates from 5 to 7 months of age. Each group consisted of six animals per genotype. Mice were weighed, and injected with tubastatin (25 mg/kg) or 0.9% normal saline solution (vehicle).
Route of Administration:
Intraperitoneal
TUB (Tubastatin A) enhanced TMZ (Temozolomide)-induced cytotoxicity in different TMZ-resistant cell lines (A172, U118, U251, U87). Cells were pre-incubated with TUB (1-32 mkM) for 12 h and then co-treated with 34mkM of TMZ for 24 h. Cell viability rates were determined by a CCK-8 assay.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:25:39 UTC 2023
by
admin
on
Sat Dec 16 13:25:39 UTC 2023
|
| Record UNII |
UHCM2AYJVX
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
57336514
Created by
admin on Sat Dec 16 13:25:39 UTC 2023 , Edited by admin on Sat Dec 16 13:25:39 UTC 2023
|
PRIMARY | |||
|
1310693-92-5
Created by
admin on Sat Dec 16 13:25:39 UTC 2023 , Edited by admin on Sat Dec 16 13:25:39 UTC 2023
|
PRIMARY | |||
|
UHCM2AYJVX
Created by
admin on Sat Dec 16 13:25:39 UTC 2023 , Edited by admin on Sat Dec 16 13:25:39 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE | |||
|
TARGET -> INHIBITOR |
Tubastatin A HCl is a potent and selective HDAC6 inhibitor in a cell-free assay.
INHIBITOR
IC50
|
