WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 581030

CAS#: 1604810-84-5

Description: THZ2, an analog of THZ1, with the potential to treat Triple-negative breast cancer (TNBC), it is a potent and selective CDK7 inhibitor which overcomes the instability of THZ1 in vivo. IC50: CDK7= 13.9 nM; TNBC cells= 10 nM

Chemical Structure

CAS# 1604810-84-5

Theoretical Analysis

MedKoo Cat#: 581030
Name: THZ2
CAS#: 1604810-84-5
Chemical Formula: C31H28ClN7O2
Exact Mass: 565.1993
Molecular Weight: 566.06
Elemental Analysis: C, 65.78; H, 4.99; Cl, 6.26; N, 17.32; O, 5.65

Price and Availability

Size Price Availability Quantity
25.0mg USD 250.0 2 Weeks
50.0mg USD 450.0 2 Weeks
100.0mg USD 850.0 2 Weeks
200.0mg USD 1450.0 2 Weeks
500.0mg USD 3250.0 2 Weeks
1.0g USD 4250.0 2 Weeks
2.0g USD 7450.0 2 Weeks
Bulk inquiry

Synonym: THZ2; THZ 2; THZ-2.

IUPAC/Chemical Name: N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide


InChi Code: 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+

SMILES Code: O=C(NC1=CC=CC(NC2=NC=C(Cl)C(C3=CNC4=C3C=CC=C4)=N2)=C1)C5=CC=CC(NC(/C=C/CN(C)C)=O)=C5

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 566.06 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.


Dilution Calculator

Calculate the dilution required to prepare a stock solution.

1: Ebmeier CC, Erickson B, Allen BL, Allen MA, Kim H, Fong N, Jacobsen JR, Liang
K, Shilatifard A, Dowell RD, Old WM, Bentley DL, Taatjes DJ. Human TFIIH Kinase
CDK7 Regulates Transcription-Associated Chromatin Modifications. Cell Rep. 2017
Aug 1;20(5):1173-1186. doi: 10.1016/j.celrep.2017.07.021. PubMed PMID: 28768201;
PubMed Central PMCID: PMC5564226.

2: Zhang Z, Peng H, Wang X, Yin X, Ma P, Jing Y, Cai MC, Liu J, Zhang M, Zhang S,
Shi K, Gao WQ, Di W, Zhuang G. Preclinical Efficacy and Molecular Mechanism of
Targeting CDK7-Dependent Transcriptional Addiction in Ovarian Cancer. Mol Cancer
Ther. 2017 Sep;16(9):1739-1750. doi: 10.1158/1535-7163.MCT-17-0078. Epub 2017 Jun
1. PubMed PMID: 28572168.

3: Colleoni B, Paternot S, Pita JM, Bisteau X, Coulonval K, Davis RJ, Raspé E,
Roger PP. JNKs function as CDK4-activating kinases by phosphorylating CDK4 and
p21. Oncogene. 2017 Jul 27;36(30):4349-4361. doi: 10.1038/onc.2017.7. Epub 2017
Apr 3. PubMed PMID: 28368408; PubMed Central PMCID: PMC5537611.

4: Wang Y, Zhang T, Kwiatkowski N, Abraham BJ, Lee TI, Xie S, Yuzugullu H, Von T,
Li H, Lin Z, Stover DG, Lim E, Wang ZC, Iglehart JD, Young RA, Gray NS, Zhao JJ.
CDK7-dependent transcriptional addiction in triple-negative breast cancer. Cell.
2015 Sep 24;163(1):174-86. doi: 10.1016/j.cell.2015.08.063. PubMed PMID:
26406377; PubMed Central PMCID: PMC4583659.

5: Zhang J, Zhu J, Yang L, Guan C, Ni R, Wang Y, Ji L, Tian Y. Interaction with
CCNH/CDK7 facilitates CtBP2 promoting esophageal squamous cell carcinoma (ESCC)
metastasis via upregulating epithelial-mesenchymal transition (EMT) progression.
Tumour Biol. 2015 Sep;36(9):6701-14. doi: 10.1007/s13277-015-3354-x. Epub 2015
Mar 29. PubMed PMID: 25820824.

6: Mourgues S, Gautier V, Lagarou A, Bordier C, Mourcet A, Slingerland J, Kaddoum
L, Coin F, Vermeulen W, Gonzales de Peredo A, Monsarrat B, Mari PO, Giglia-Mari
G. ELL, a novel TFIIH partner, is involved in transcription restart after DNA
repair. Proc Natl Acad Sci U S A. 2013 Oct 29;110(44):17927-32. doi:
10.1073/pnas.1305009110. Epub 2013 Oct 14. PubMed PMID: 24127601; PubMed Central
PMCID: PMC3816466.

7: Bisteau X, Paternot S, Colleoni B, Ecker K, Coulonval K, De Groote P, Declercq
W, Hengst L, Roger PP. CDK4 T172 phosphorylation is central in a CDK7-dependent
bidirectional CDK4/CDK2 interplay mediated by p21 phosphorylation at the
restriction point. PLoS Genet. 2013 May;9(5):e1003546. doi:
10.1371/journal.pgen.1003546. Epub 2013 May 30. PubMed PMID: 23737759; PubMed
Central PMCID: PMC3667761.

8: Manzo SG, Zhou ZL, Wang YQ, Marinello J, He JX, Li YC, Ding J, Capranico G,
Miao ZH. Natural product triptolide mediates cancer cell death by triggering
CDK7-dependent degradation of RNA polymerase II. Cancer Res. 2012 Oct
15;72(20):5363-73. doi: 10.1158/0008-5472.CAN-12-1006. Epub 2012 Aug 27. PubMed
PMID: 22926559.

9: Wang W, Smith R 3rd, Safe S. Aryl hydrocarbon receptor-mediated
antiestrogenicity in MCF-7 cells: modulation of hormone-induced cell cycle
enzymes. Arch Biochem Biophys. 1998 Aug 15;356(2):239-48. PubMed PMID: 9705214.


25.0mg / USD 250.0