THZ2 | CAS# 1604810-84-5 | potential treat Triple-negative breast

THZ2
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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

THZ2

CAS# 1604810-84-5

Instruction

Theoretical Analysis

MedKoo Cat#: 581030
Name: THZ2
CAS#: 1604810-84-5
Chemical Formula: C31H28ClN7O2
Exact Mass: 565.20
Molecular Weight: 566.060
Elemental Analysis: C, 65.78; H, 4.99; Cl, 6.26; N, 17.32; O, 5.65

Price and Availability

Size	Price	Availability
25mg	USD 250	2 Weeks
50mg	USD 450	2 Weeks
100mg	USD 850	2 Weeks
200mg	USD 1450
500mg	USD 3250	2 Weeks
1g	USD 4250	2 Weeks
2g	USD 7450	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

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:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

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.

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

Formulation protocol:
In vitro protocol:
In vivo protocol:

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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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