MedKoo Cat#: 130138 | Name: JQ1-TCO

Description:

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

JQ1-TCO is a clickable BET inhibitor for use as a chemical probe in targeted cancer therapeutics, as well as a method of degrading BRD4. JQT-TCO, which was derived from the BET inhibitor JQ1, was found to lead to a reduction in proliferation, and very similar gene expressions to JQ1. JQ1-TCO was vital in demonstrating the importance of increasing bone marrow penetration in order to increase the efficacy of BET inhibitors.

Chemical Structure

JQ1-TCO
JQ1-TCO
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 130138

Name: JQ1-TCO

CAS#: N/A

Chemical Formula: C31H37ClN6O3S

Exact Mass: 608.2336

Molecular Weight: 609.19

Elemental Analysis: C, 61.12; H, 6.12; Cl, 5.82; N, 13.80; O, 7.88; S, 5.26

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
JQ1-TCO; JQ1 TCO
IUPAC/Chemical Name
(E)-cyclooct-4-en-1-yl (3-(2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)propyl)carbamate
InChi Key
CYIPOINYTLBSLB-RQJBGTBZSA-N
InChi Code
InChI=1S/C31H37ClN6O3S/c1-19-20(2)42-30-27(19)28(22-12-14-23(32)15-13-22)35-25(29-37-36-21(3)38(29)30)18-26(39)33-16-9-17-34-31(40)41-24-10-7-5-4-6-8-11-24/h4-5,12-15,24-25H,6-11,16-18H2,1-3H3,(H,33,39)(H,34,40)/b5-4+/t24?,25-/m0/s1
SMILES Code
O=C(OC1CC/C=C/CCC1)NCCCNC(C[C@H]2C3=NN=C(C)N3C4=C(C(C)=C(C)S4)C(C5=CC=C(Cl)C=C5)=N2)=O
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 609.19 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. A Click-Chemistry Approach Reveals the BET Inhibitor Mechanism of Action. Cancer Discov 1 August 2017; 7 (8): 791. https://doi.org/10.1158/2159-8290.CD-RW2017-120 2. Lebraud H, Wright DJ, Johnson CN, Heightman TD. Protein Degradation by In-Cell Self-Assembly of Proteolysis Targeting Chimeras. ACS Cent Sci. 2016 Dec 28;2(12):927-934. doi: 10.1021/acscentsci.6b00280. Epub 2016 Dec 5. PMID: 28058282; PMCID: PMC5200928.