(R)-JQ-1 carboxylic acid

CAS No. 202592-24-3
Cat. No. CS-M2416
Molecule weight400.88
Purity≥97%
MDL No.MFCD28167871

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General Information

CAS No. 202592-24-3
Cat. No. CS-M2416
Purity ≥97%
MDL No. MFCD28167871
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₉H₁₇ClN₄O₂S
Molecular Weight 400.88
Synonym(s) 2-((6R)-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
SMILES ClC1=CC=C(C(C2=C(N3C4=NN=C3C)SC(C)=C2C)=N[C@@H]4CC(O)=O)C=C1

Description

(R)-JQ-1 (carboxylic acid) features a chiral scaffold with a carboxylic acid handle, enabling direct conjugation or derivatization in chemical biology workflows. This bench-stable variant integrates seamlessly into probe development, offering precise stereochemical control for targeted epigenetic studies.

Application

(R)-JQ-1 (carboxylic acid) serves as a well-characterized, bench-stable building block for the synthesis of BET bromodomain inhibitors. Its carboxylic acid functionality enables direct coupling to amines or alcohols under standard amide/ester formation conditions, facilitating rapid diversification in medicinal chemistry campaigns. The compound exhibits excellent functional group tolerance and reproducible reactivity, making it a reliable scaffold for exploring structure–activity relationships in epigenetic drug discovery.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 80.37
LogP 4.27426
H_Acceptors 6
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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(R)-JQ-1 carboxylic acid

CAS No. 202592-24-3

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