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Talmapimod

Talmapimod structure

Talmapimod 

structure
  • CAS No:

    309913-83-5

  • Formula:

    C27H30ClFN4O3

  • Chemical Name:

    Talmapimod

  • Synonyms:

    1H-Indole-3-acetamide,6-chloro-5-[[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]carbonyl]-N,N,1-trimethyl-α-oxo-;6-Chloro-5-[[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]carbonyl]-N,N,1-trimethyl-α-oxo-1H-indole-3-acetamide;Talmapimod;SCIO 469;Scios 469;750646-72-1;864249-70-7

Description

Talmapimod is an indolecarboxamide obtained by formal condensation of the carboxy group of 6-chloro-3-[(dimethylamino)(oxo)acetyl]-1-methylindole-5-carboxylic acid with the secondary amino group of (2S,5R)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine. It is a potent inhibitor of MAPK and exhibits anti-cancer properties. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor, an apoptosis inducer and an antineoplastic agent. It is a N-acylpiperazine, a N-alkylpiperazine, an aromatic amide, a member of monofluorobenzenes, a chloroindole, an indolecarboxamide, a dicarboxylic acid diamide and an aromatic ketone.|Talmapimod is the first-generation oral p38 MAP kinase inhibitor developed by Scios. It has shown to be effective to cure inflammatory diseases such as Rheumatoid Arthritis.|Talmapimod is an orally bioavailable, small-molecule, p38 mitogen-activated protein kinase (MAPK) inhibitor with potential immunomodulating, anti-inflammatory, and antineoplastic activities. Talmapimod specifically binds to and inhibits the phosphorylation of p38 MAPK, which may result in the induction of tumor cell apoptosis, the inhibition of tumor cell proliferation, and the inhibition of tumor angiogenesis. This agent may also enhance proteasome inhibitor-induced apoptosis. p38 MAPK is a serine/threonine protein kinase involved in a MAPK signaling cascade that controls cellular responses to various environmental stresses, cytokines, and endotoxins.

Talmapimod Basic Attributes

513

513.00

B1E00KQ6NT

C79841

Characteristics

65.86000

3.85250

1.29

658.0±65.0 °C(Predicted)

6.52±0.70

Drug Information

Investigated for use/treatment in pain (acute or chronic) and rheumatoid arthritis.

SCIO-469 inhibits p38 kinase, a stimulatory modulator of pro-inflammatory factors including tumor necrosis factor-alpha (TNFa), interleukin-1 (IL-1), and cyclooxygenase-2 (COX-2), all of which are known to contribute to both symptoms and disease progression in patients with Rheumatoid Arthritis (RA). Existing protein-based products that antagonize TNFa have been shown to markedly relieve the symptoms and retard the progression of RA. It also has the potential for additional benefits associated with its inhibition of IL-1 and COX-2.

SCIO-469

Talmapimod Use and Manufacturing

Talmapimod is a p38 mitogen-activated protein (MAP) kinase inhibitor. Talmapimod reduced human myeloma cell growth in vivo both at early and advanced phases of the disease in mouse xenograft models. T almapimod that blocks tumor necrosis factor-α, interleukin-1β, and cyclooxygenase-2 synthesis in patients with active rheumatoid arthritis (RA)

Computed Properties

Molecular Weight:513.0
XLogP3:3.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:512.1990467
Monoisotopic Mass:512.1990467
Topological Polar Surface Area:65.9
Heavy Atom Count:36
Complexity:836
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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