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Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
ACY-738 inhibitsHDAC6with low nanomolar potency (IC50=1.7 nM) and a selectivity of 60- to 1500-fold over class I HDACs.
Targets
HDAC6 (Cell-free) 1.7 nM
In vivo
ACY-738 induces dramatic increases in α-tubulin acetylation in brain and stimulate mouse exploratory behaviors in novel, but not familiar environments. ACY-738 has the antidepressant-like properties. Elimination of ACY-738 from plasma is rapid, with plasmatic half-life of 12\u2009min and concentration below 10\u2009ng/ml after 2\u2009h. ACY-738 rapidly distributes to the brain leading to a total drug exposure in CNS comparable to that of peripheral tissues. ACY-738 decreases several characteristics of SLE (Systemic lupus erythematosus) in NZB/W mice by dictating B cell development in the bone marrow. ACY-738 treatment increases the percentage of B cells in early developmental stages, while decreasing the percentage of cells in late pre-B cell fraction F. ACY-738 regulation of BM B cell development could be due to regulation developmental checkpoints known to be dysfunctional during SLE.
Cell Research(from reference)
Cell lines:Undifferentiated RN46A-B14 cells
Concentrations:2.5\u2009μM
Incubation Time:4 h
| ALogP | 1.325 |
|---|---|
| hba_count | 3 |
| HBD Count | 2 |
| Rotatable Bond | 4 |
| Canonical Smiles | C1CC1(C2=CC=CC=C2)NC3=NC=C(C=N3)C(=O)NO |
|---|---|
| IUPAC Name | N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide |
| InChIKey | LIIWIMDSZVNYHY-UHFFFAOYSA-N |
| INCHI | 1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17) |
| Isomeric SMILES | C1CC1(C2=CC=CC=C2)NC3=NC=C(C=N3)C(=O)NO |
| Molecular Weight | 270.29 |
| Reaxy-Rn | 24474121 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24474121&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Pyrimidinecarboxylic acids and derivatives |
| Direct Parent | Pyrimidinecarboxamides |
| Alternative Parents | Secondary alkylarylamines Aminopyrimidines and derivatives Benzene and substituted derivatives Heteroaromatic compounds Hydroxamic acids Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidinecarboxamide - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Hydroxamic acid - Azacycle - Secondary amine - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidinecarboxamides. These are compounds containing a pyrimidine ring which bears a carboxamide. |
| External Descriptors | Not available |
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| DMSO(mg / mL) Max Solubility | 54 |
|---|---|
| DMSO(mM) Max Solubility | 199.7854157 |
| Water(mg / mL) Max Solubility | <1 |
| Molecular Weight | 270.290 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 270.112 Da |
| Monoisotopic Mass | 270.112 Da |
| Topological Polar Surface Area | 87.100 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 345.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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