JQ1-Acid HCl

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MedKoo CAT#: 462085

CAS#: 1426257-60-4 (HCl)

Description: (+)-JQ-1 carboxylic acid is a potent bromodomain and extra terminal domain (BET) inhibitor. (+)-JQ-1 carboxylic has potential to be used as a precursor to synthesize PROTACs and other conjugates.

Chemical Structure

JQ1-Acid HCl
CAS# 1426257-60-4 (HCl)

Theoretical Analysis

MedKoo Cat#: 462085
Name: JQ1-Acid HCl
CAS#: 1426257-60-4 (HCl)
Chemical Formula: C19H18Cl2N4O2S
Exact Mass: 400.0761
Molecular Weight: 437.339
Elemental Analysis: C, 52.18; H, 4.15; Cl, 16.21; N, 12.81; O, 7.32; S, 7.33

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.
Note: Price will be listed if it is available in the future.

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Related CAS #: 1426257-60-4 (HCl)   2069219-37-8 (TFA)   2230314-61-9 (xTFA)   202592-23-2 (free)    

Synonym: (+)-JQ-1 carboxylic acid; JQ1-Acid HCl; JQ1-Acid hydrochloride

IUPAC/Chemical Name: (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetic acid hydrochloride


InChi Code: InChI=1S/C19H17ClN4O2S.ClH/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19;/h4-7,14H,8H2,1-3H3,(H,25,26);1H/t14-;/m0./s1

SMILES Code: O=C(O)C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1.[H]Cl

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: >3 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 437.339 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: Gadd MS, Testa A, Lucas X, et al. Structural basis of PROTAC cooperative recognition for selective protein degradation. Nat Chem Biol. 2017;13(5):514‐521. doi:10.1038/nchembio.2329

2: Hines J, Lartigue S, Dong H, Qian Y, Crews CM. MDM2-Recruiting PROTAC Offers Superior, Synergistic Antiproliferative Activity via Simultaneous Degradation of BRD4 and Stabilization of p53. Cancer Res. 2019;79(1):251‐262. doi:10.1158/0008-5472.CAN-18-2918