Determine the necessary mass, volume, or concentration for preparing a solution.
Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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SKU | Size | Availability | Price | Qty |
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T420617-1ml | 1ml | Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience! | $241.90 |
Potent and selective TAK1/MAP3K7 kinase inhibitor
Synonyms | N17080 | SCHEMBL20063046 | F0918-1884 | A928060 | Tox21_300612 | Diethyl phthalate, 99% | NSC789624 | NSC-789624 | UNII-Z56NTB3YHJ | CCG-267729 | Z332866662 | 1-N-(1-propyl-1H-1,3-benzodiazol-2-yl)benzene-1,3-dicarboxamide | AKOS037515558 | GTPL9655 | MFC |
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Specifications & Purity | Moligand™, 10mM in DMSO |
Biochemical and Physiological Mechanisms | Potent and selective TAK1/MAP3K7 kinase inhibitor (IC50= 8.2-9.5 nM). Selective for TAK1 over IRAK4, IRAK1, GCK, CLK2 and MINK1 (IC50values = 120, 390, 430, 430 and 1900 nM, respectively). Demonstrates weak inhibition at Src and Yes1. Exhibits no inhibiti |
Storage Temp | Store at -80°C |
Shipped In | Ice chest + Ice pads |
Grade | Moligand™ |
Action Type | INHIBITOR |
Mechanism of action | Inhibitor of CDC like kinase 2;Inhibitor of interleukin 1 receptor associated kinase 1;Inhibitor of interleukin 1 receptor associated kinase 4;Inhibitor of mitogen-activated protein kinase kinase kinase 7 |
Product Description | Application Takinib has been used as an inhibitor of transforming 28 growth factor - β-activated kinase -1 (TAK-1) in human leukemia monocytic THP-1 cells. It may be used as a TAK1 inhibitor in Jurkat cells. |
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IUPAC Name | 3-N-(1-propylbenzimidazol-2-yl)benzene-1,3-dicarboxamide |
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INCHI | InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24) |
InChi Key | UOZVVPXKJGOFIG-UHFFFAOYSA-N |
Canonical SMILES | CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CC(=C3)C(=O)N |
Isomeric SMILES | CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CC(=C3)C(=O)N |
Alternate CAS | 1111556-37-6 |
PubChem CID | 37750349 |
MeSH Entry Terms | EDHS-206;takinib |
Molecular Weight | 322.37 |
Molecular Weight | 322.400 g/mol |
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XLogP3 | 2.300 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 5 |
Exact Mass | 322.143 Da |
Monoisotopic Mass | 322.143 Da |
Topological Polar Surface Area | 90.000 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 470.000 |
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 |
Pictogram(s) | GHS07 |
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Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
RIDADR | NONHforallmodesoftransport |