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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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
THZ2, a THZ1 analog, is a selective inhibitor ofCDK7with IC50 of 13.9 nM. THZ2 efficiently suppresses the clonogenic growth of TNBC cells with IC50 of ~10 nM.
Targets
CDK7 (Cell-free assay) 13.9 nM
In vitro
THZ2 selectively targets CDK7 and potently inhibits the growth of triple-negative but not ER/PR+ breast cancer cells. THZ2 at low nanomolar doses also efficiently suppresses the clonogenic growth of TNBC cells.
In vivo
THZ2 is well tolerated in nude mice. The growth rate of tumors in mice treated with THZ2 is markedly reduced as compared to that of control tumors, demonstrating an anti-tumor activity of THZ2. Both acute and chronic exposure to THZ2 significantly reduces CTD phosphorylation of RNAPII at all three phosphorylation sites (S2, S5, and S7), indicating that CDK7 is efficiently targeted in the tumor cells. Compared to vehicle-treated tumors, tumor tissues isolated from mice treated with THZ2 has reduced proliferation and increased apoptosis. THZ2 is able to efficiently reduce tumor cell proliferation and induce cell death in vivo.
Cell Research(from reference)
Cell lines:BT549, CAMA1, HCC1187, HCC1569, HCC38, MDAMB-231, MDA-MB-415, MDA-MB-468, T47D, ZR-75-1, HEK293T cells
Concentrations:200 nM, 500 nM
Incubation Time:24 h, 48 h
| ALogP | 5.619 |
|---|---|
| HBD Count | 4 |
| Rotatable Bond | 9 |
| Pubchem Sid | 504772429 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772429 |
| Canonical Smiles | CN(C)CC=CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl |
| IUPAC Name | N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide |
| InChIKey | FONRCZUZCHXWBD-VGOFMYFVSA-N |
| INCHI | 1S/C31H28ClN7O2/c1-39(2)15-7-14-28(40)35-21-9-5-8-20(16-21)30(41)36-22-10-6-11-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-13-4-3-12-24(25)27/h3-14,16-19,33H,15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b14-7+ |
| Isomeric SMILES | CN(C)C/C=C/C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl |
| PubChem CID | 78357763 |
| Molecular Weight | 566.05 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | Acylaminobenzoic acid and derivatives Benzamides Indoles Aniline and substituted anilines Benzoyl derivatives N-arylamides Aminopyrimidines and derivatives Halopyrimidines Aryl chlorides Substituted pyrroles Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzanilide - Acylaminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Indole or derivatives - Indole - Benzoyl - N-arylamide - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - Aryl chloride - Pyrimidine - Substituted pyrrole - Aryl halide - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Amine - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Mar 18, 2026 | T413894 | |
| Certificate of Analysis | Mar 18, 2026 | T413894 | |
| Certificate of Analysis | Mar 18, 2026 | T413894 | |
| Certificate of Analysis | Mar 18, 2026 | T413894 | |
| Certificate of Analysis | Mar 18, 2026 | T413894 | |
| Certificate of Analysis | Mar 18, 2026 | T413894 | |
| Certificate of Analysis | Mar 18, 2026 | T413894 | |
| Certificate of Analysis | Mar 18, 2026 | T413894 | |
| Certificate of Analysis | Mar 18, 2026 | T413894 | |
| Certificate of Analysis | Mar 18, 2026 | T413894 | |
| Certificate of Analysis | Mar 18, 2026 | T413894 | |
| Certificate of Analysis | Mar 18, 2026 | T413894 |
| Solubility | Solubility (25°C) In vitro DMSO: 100 mg/mL (176.66 mM); Water: ˂1 mg/mL Ethanol: ˂1 mg/mL |
|---|---|
| DMSO(mg / mL) Max Solubility | 100 |
| DMSO(mM) Max Solubility | 176.662838971822 |
| Water(mg / mL) Max Solubility | ˂1 |
| Molecular Weight | 566.100 g/mol |
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 565.199 Da |
| Monoisotopic Mass | 565.199 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 904.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |