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MedKoo Cat#: 581030 | Name: THZ2
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Description:

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

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

THZ2
THZ2
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
25mg USD 250.00 2 Weeks
50mg USD 450.00 2 Weeks
100mg USD 850.00 2 Weeks
200mg USD 1,450.00 2 Weeks
500mg USD 3,250.00 2 Weeks
1g USD 4,250.00 2 Weeks
2g USD 7,450.00 2 Weeks
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Related CAS #
No Data
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 Key
FONRCZUZCHXWBD-VGOFMYFVSA-N
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
More Info

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
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.

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