HQ461 HBr

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MedKoo CAT#: 465226

CAS#: 2755241-76-8 (HBr)

Description: HQ461 is a Molecular-glue degrader. HQ461 acts by promoting an interaction between CDK12 and DDB1-CUL4-RBX1 E3 ubiquitin ligase, leading to polyubiquitination and degradation of CDK12-interacting protein Cyclin K (CCNK). Degradation of CCNK mediated by HQ461 compromised CDK12 function, leading to reduced phosphorylation of a CDK12 substrate, downregulation of DNA damage response genes, and cell death. Structure-activity relationship analysis of HQ461 revealed the importance of a 5-methylthiazol-2-amine pharmacophore and resulted in an HQ461 derivate with improved potency.

Chemical Structure

HQ461 HBr
CAS# 2755241-76-8 (HBr)

Theoretical Analysis

MedKoo Cat#: 465226
Name: HQ461 HBr
CAS#: 2755241-76-8 (HBr)
Chemical Formula: C15H16BrN5OS2
Exact Mass: 345.0718
Molecular Weight: 426.35
Elemental Analysis: C, 42.26; H, 3.78; Br, 18.74; N, 16.43; O, 3.75; S, 15.04

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
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Related CAS #: 2755241-76-8 (HBr)   1226443-41-9 (free base)    

Synonym: HQ461; HQ 461; HQ-461; HQ461 HBr; HQ461 hydrochloride

IUPAC/Chemical Name: 2-(2-((6-methylpyridin-2-yl)amino)thiazol-4-yl)-N-(5-methylthiazol-2-yl)acetamide hydrobromide


InChi Code: InChI=1S/C15H15N5OS2.BrH/c1-9-4-3-5-12(17-9)19-15-18-11(8-22-15)6-13(21)20-14-16-7-10(2)23-14;/h3-5,7-8H,6H2,1-2H3,(H,16,20,21)(H,17,18,19);1H

SMILES Code: O=C(NC1=NC=C(C)S1)CC2=CSC(NC3=NC(C)=CC=C3)=N2.[H]Br

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: 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

Preparing Stock Solutions

The following data is based on the product molecular weight 426.35 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

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1: Lv L, Chen P, Cao L, Li Y, Zeng Z, Cui Y, Wu Q, Li J, Wang JH, Dong MQ, Qi X, Han T. Discovery of a molecular glue promoting CDK12-DDB1 interaction to trigger cyclin K degradation. Elife. 2020 Aug 17;9:e59994. doi: 10.7554/eLife.59994. PMID: 32804079; PMCID: PMC7462607.