Talmapimod
Grundinformationen
- CAS
309913-83-5- Standard-SMILES
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl- InChIKey
ZMELOYOKMZBMRB-DLBZAZTESA-N- Summenformel
- C27H30ClFN4O3
- Durchschnittliche Molmasse
- 513 g/mol
- Monoisotopische Masse
- 512,1990467
Überblick
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 antineoplastic agent, an apoptosis inducer and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a dicarboxylic acid diamide, a N-acylpiperazine, a N-alkylpiperazine, an indolecarboxamide, a chloroindole, an aromatic amide, an aromatic ketone and a member of monofluorobenzenes.
Namen und Bezeichner
- Bevorzugter Name
- Talmapimod
- IUPAC
- 2-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
- Englischer Name
- talmapimod
- Summenformel
- C27H30ClFN4O3
- Molmasse
- 513
Namen und Synonyme
Talmapimod309913-83-5SCIO-469SCIO 469Scios 469B1E00KQ6NTCHEBI:906832-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide2-(6-Chloro-5-{[(2r,5s)-4-(4-Fluorobenzyl)-2,5-Dimethylpiperazin-1-Yl]carbonyl}-1-Methyl-1h-Indol-3-Yl)-N,N-Dimethyl-2-Oxoacetamide1H-Indole-3-acetamide, 6-chloro-5-(((2R,5S)-4-((4-fluorophenyl)methyl)-2,5-dimethyl-1-piperazinyl)carbonyl)-N,N,1-trimethyl-alpha-oxo-2-(6-chloro-5-(((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)carbonyl)-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide2-(6-chloro-5-{(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
Weitere Namen anzeigen
Unii-B1E00kq6ntTalMapiMod (SCIO-469)SCIO 469 - TalmapimodTalmapimod hydrochlorideTalmapimod, 10 mM in DMSOSCIO469
talmapimodum1H-Indole-3-acetamide, 6-chloro-5-[[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]carbonyl]-N,N,1-trimethyl-alpha-oxo-2-(6-chloro-5-((2R,5S)-4-((4-fluorophenyl)methyl)-2,5-dimethylpiperazine-1-carbonyl)-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide2-(6-chloro-5-((2R,5S)-4-((4-fluorophenyl)methyl)-2,5-dimethylpiperazine-1-carbonyl)-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide2-[6-Chloro-5-[[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl]-1-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamideRefChem:890880SCIO 469 hydrochloriderac-Talmapimod
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 65,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 36
- Formalladung
- 0
- Komplexität
- 836
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
LogP3.6
Physikochemische Eigenschaften
- Siedepunkt
- 658 · 658.0±65.0 °C(Predicted)
- Dichte
- 1.29 · 1.29
- storage temp.
- 4 °C · Desiccate at +4°C
- Löslichkeit
- DMSO: soluble
- Aggregatzustand
- A crystalline solid
- pka
- 6.52 · 6.52±0.70(Predicted)
- Farbe
- Pink to red
- InChIKey
- ZMELOYOKMZBMRB-DLBZAZTESA-N
- SMILES
- O=C(C(C1=CN(C2=C1C=C(C(Cl)=C2)C(N3[C@@H](CN([C@H](C3)C)CC4=CC=C(C=C4)F)C)=O)C)=O)N(C)C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2924297099
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Mechanism of Action
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.
Anbieter48 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海波以尔化工有限公司[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司
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