THZ2 - ≥98% , CAS No.1604810-84-5

CAS: 1604810-84-5 Cat. No.: T413894 Formula: C31H28ClN7O2 Molecular Weight: 566.05 PubChem CID: 78357763
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
(E)-N-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)-3-(4-(dimethylamino)but-2-enamido)benzamide | BS-15498 | AC-31601 | N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide | HY-1
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Germany (EU)
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Price
Qty
2mg
T413894-2mg
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3 In stock
€105.78
5mg
T413894-5mg
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3 In stock
€197.76
10mg
T413894-10mg
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2 In stock
€303.62
25mg
T413894-25mg
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1 In stock
€607.33
50mg
T413894-50mg
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1 In stock
€924.06
100mg
T413894-100mg
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1 In stock
€1,319.74
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

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 

Specifications

Synonyms
(E)-N-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)-3-(4-(dimethylamino)but-2-enamido)benzamide | BS-15498 | AC-31601 | N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide | HY-1
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
THZ2, a THZ1 analog, is a selective inhibitor of CDK7 with IC50 of 13.9 nM. THZ2 efficiently suppresses the clonogenic growth of TNBC cells with IC50 of ~10 nM.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Product Properties
ALogP5.619
HBD Count4
Rotatable Bond9
Names and Identifiers
Pubchem Sid504772429
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504772429
Canonical SmilesCN(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 NameN-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
InChIKeyFONRCZUZCHXWBD-VGOFMYFVSA-N
INCHI1S/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

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Aromatic anilides
Direct ParentBenzanilides
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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CDK1 Tchem Cyclin-dependent kinase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CDK7 Tchem Cyclin-dependent kinase 7 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CDK9 Tchem Cyclin-dependent kinase 9 (2495 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK1 Tchem Cyclin-dependent kinase 1 (3927 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK7 Tchem Cyclin-dependent kinase 7 (1512 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK5 Tchem Cyclin-dependent kinase 5 (3021 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AGS (1999 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BGC-823 (3035 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK8 Tchem Cell division protein kinase 8 (1536 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCNH Tbio CDK7/Cyclin H/MNAT1 (693 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MGC-803 (6426 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot NumberCertificate TypeDateItem
F23061231Certificate of AnalysisMar 18, 2026 T413894
F23061233Certificate of AnalysisMar 18, 2026 T413894
F23061245Certificate of AnalysisMar 18, 2026 T413894
F23061251Certificate of AnalysisMar 18, 2026 T413894
F23061255Certificate of AnalysisMar 18, 2026 T413894
F23061256Certificate of AnalysisMar 18, 2026 T413894
F23061275Certificate of AnalysisMar 18, 2026 T413894
F23061276Certificate of AnalysisMar 18, 2026 T413894
F23061288Certificate of AnalysisMar 18, 2026 T413894
F23061319Certificate of AnalysisMar 18, 2026 T413894
F23061320Certificate of AnalysisMar 18, 2026 T413894
F23061359Certificate of AnalysisMar 18, 2026 T413894

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Chemical and Physical Properties
SolubilitySolubility (25°C) In vitro DMSO: 100 mg/mL (176.66 mM); Water: ˂1 mg/mL Ethanol: ˂1 mg/mL
DMSO(mg / mL) Max Solubility100
DMSO(mM) Max Solubility176.662838971822
Water(mg / mL) Max Solubility˂1
Molecular Weight566.100 g/mol
XLogP34.800
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass565.199 Da
Monoisotopic Mass565.199 Da
Topological Polar Surface Area115.000 Ų
Heavy Atom Count41
Formal Charge0
Complexity904.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

Frequently Asked Questions

What is the purity of this product?
This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1604810-84-5, the molecular formula is C31H28ClN7O2, and the molecular weight is 566.05 g/mol. InChIKey FONRCZUZCHXWBD-VGOFMYFVSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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