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Abexinostat

Abexinostat structure

CAS No:
783355-60-2
Formula:
C21H23N3O5
Chemical Name:
Abexinostat
Synonyms:
2-Benzofurancarboxamide,3-[(dimethylamino)methyl]-N-[2-[4-[(hydroxyamino)carbonyl]phenoxy]ethyl]-;3-[(Dimethylamino)methyl]-N-[2-[4-[(hydroxyamino)carbonyl]phenoxy]ethyl]-2-benzofurancarboxamide;CRA 024781;PCI 24781;CRA 24781;Abexinostat;3-[(Dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide;THM-I 94;BRD K12867552;942630-54-8;883970-69-2
Categories:
Biochemical Engineering > Inhibitors

Description

Abexinostat (CRA 024781) is a novel pan-HDAC inhibitor mostly targeting HDAC1 with Ki of 7 nM.

3-[(dimethylamino)methyl]-N-[2-[4-[(hydroxyamino)-oxomethyl]phenoxy]ethyl]-2-benzofurancarboxamide is a member of benzofurans.|Abexinostat has been used in trials studying the treatment of Sarcoma, Lymphoma, Leukemia, Lymphocytic, and Hodgkin Disease, among others. It is a novel, broad-spectrum hydroxamic acid-based inhibitor of histone deacetylase (HDAC) with potential antineoplastic activity.|Abexinostat is an orally bioavailable hydroxamate-based pan-inhibitor of histone deacetylase (HDAC), with potential antineoplastic and radiosensitizing activities. Upon administration, abexinostat inhibits HDAC, resulting in an accumulation of highly acetylated histones, followed by the induction of chromatin remodeling; the selective transcription of tumor suppressor genes; and the tumor suppressor protein-mediated inhibition of tumor cell division and induction of tumor cell apoptosis. In addition, abexinostat decreases the expression of the DNA-repair protein RAD51, thereby reducing the RAD51 protein, preventing repair of DNA double-strand breaks and increasing sensitivity of tumor cells to DNA damaging agents. HDAC, upregulated in many tumor types, is an enzyme that is responsible for the deacetylation of chromatin histone proteins.

Abexinostat Basic Attributes

Molecular Weight：

397.42442

Exact Mass：

397.42

EC Number：

-0

UNII：

IYO470654U

DSSTox ID：

DTXSID30229005

NCI Thesaurus Code：

C68920

Characteristics

PSA：

104

XLogP3：

2.2

Density：

1.3±0.1 g/cm3

Refractive Index：

1.624

Safety Information

Precautionary statement(s)：

P201, P202, P260, P264, P270, P281, P301+P312, P308+P313, P314, P330, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P264, P270, P273, P280, P281, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P312, P314, P321, P322, P330, P361, P363, P391, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Compounds that inhibit HISTONE DEACETYLASES. This class of drugs may influence gene expression by increasing the level of acetylated HISTONES in specific CHROMATIN domains. (See all compounds classified as Histone Deacetylase Inhibitors.)

Mechanism of Action：

Abexinostat is a novel histone deacetylase (HDAC) inhibitor. HDAC inhibitors target HDAC enzymes and inhibit the proliferation of cancer cells and induce cancer cell death, or apoptosis. Histone deacetylation is carried out by a family of related HDAC enzymes. Inhibition of these enzymes causes changes to chromatin structure and to gene expression patterns, which results in the inhibition of proliferation of cancer cells, and induction of apoptosis.

MeSH Entry Terms：

abexinostat

Abexinostat Use and Manufacturing

PCI-24781 is a novel hydroxamic acid HDAC inhibitor (histone deacetylase inhibitor). ?PCI-24781 exerts cytotoxicity and histone H3 alterations via caspase-8 and FADD in leukemia cells.

Computed Properties

Molecular Weight:397.4
XLogP3:2.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:397.16377084
Monoisotopic Mass:397.16377084
Topological Polar Surface Area:104
Heavy Atom Count:29
Complexity:550
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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PCI-24781

CAS No.: 783355-60-2

Content: 99%

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