Cat. No.: HY-139612A

(S)-Opnurasib

(Synonyms: (S)-JDQ-443; (S)-NVP-JDQ443)

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Based on 1 Customer Validation

(S)-Opnurasib ((S)-JDQ-443; (S)-NVP-JDQ443) is an isomer of Opnurasib (HY-139612). Opnurasib is an orally active, potent, selective, and covalent KRAS G12C inhibitor (extracted from patent WO2021120890A1). Opnurasib shows antitumor activity.

For research use only. We do not sell to patients.

Purity: 99.32%
CAS No.: 2653994-10-4
Formula: C₂₉H₂₈ClN₇O
Molecular Weight:526.03

Storage:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month

(S)-Opnurasib Chemical Structure

CAS No.: 2653994-10-4

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Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- Cellular Effect
- In Vitro
- In Vivo
- Clinical Trial
Chemical Information
Solvent & Solubility
- In Vitro
Purity & Documentation
References
Help & FAQs
Classifications
Bioz

Biological Activity

Description

All Ras Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
NCI-H1437	GI₅₀	4.4 μM Compound: 21; JDQ443	Antiproliferative activity against human NCI-H1437 cells by resazurin assay Antiproliferative activity against human NCI-H1437 cells by resazurin assay	[PMID: 36399068]
NCI-H358	GI₅₀	0.018 μM Compound: 21; JDQ443	Antiproliferative activity against human NCI-H358 cells by resazurin assay Antiproliferative activity against human NCI-H358 cells by resazurin assay	[PMID: 36399068]

In Vitro

Opnurasib traps the GDP-bound inactive conformation of KRAS^[1].
Opnurasib promotes dose-dependent reductions of phosphorylated ERK (pERK) levels and the proliferation of the KRASG12C-mutated cell lines NCI-H358 and NCI-H2122, with IC₅₀ values of 0.018 and 0.063 μM, respectively^[2].
Opnurasib covalently and selectively binds and inhibits GDP-bound KRASG12C with low reversible binding affinity to the RAS switch II pocket, and also inhibits proliferation of KRASG12C-mutated and KRAS G12C/H95, G12C/R68S, and G12C/Y96 double-mutant cell lines^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Opnurasib (10-100 mg/kg, Orally, daily for 14 days) shows antitumor activity in KRAS G12C-mutated CDX models^[2].
Opnurasib (Orally, 100 mg/kg, daily (JDQ443) + 7.5 mg/kg, twice daily (TNO155), for 36 days) shows greater cell growth inhibition or cell killing compared with single-agent JDQ443 when combined with TNO155^[2].
Opnurasib generates categorical antitumor responses in PDX models of NSCLC and colorectal tumors that are improved by combination treatment with other agents^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Clinical Trial

NCT Number	Sponsor	Condition	Start Date	Phase A549
NCT01329991	Plexxikon\|		2011-05	PHASE1

Chemical Information

CAS No. 2653994-10-4
Appearance Solid
Molecular Weight 526.03
Formula C₂₉H₂₈ClN₇O
Color Off-white to light yellow
SMILES

O=C(C=C)N1CC2(C1)CC(N3N=C(C4=CC=C5C(C=NN5C)=C4)[C@@]([C@@]6=C(Cl)C(C)=CC7=C6C=NN7)=C3C)C2
Synonyms

(S)-JDQ-443; (S)-NVP-JDQ443
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (190.10 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

1.9010 mL

9.5052 mL

19.0103 mL

5 mM

0.3802 mL

1.9010 mL

3.8021 mL

10 mM

0.1901 mL

0.9505 mL

1.9010 mL

Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.

Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (280 KB)
SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. LIU BO, et al. PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS. Patent WO2021120890A1.

[2]. Weiss A, Lorthiois E, Barys L, et al. Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent and Selective, Covalent Oral Inhibitor of KRASG12C. Cancer Discov. 2022;candisc.0158.2022. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	1.9010 mL	9.5052 mL	19.0103 mL	47.5258 mL
	5 mM	0.3802 mL	1.9010 mL	3.8021 mL	9.5052 mL
	10 mM	0.1901 mL	0.9505 mL	1.9010 mL	4.7526 mL
	15 mM	0.1267 mL	0.6337 mL	1.2674 mL	3.1684 mL
	20 mM	0.0951 mL	0.4753 mL	0.9505 mL	2.3763 mL
	25 mM	0.0760 mL	0.3802 mL	0.7604 mL	1.9010 mL
	30 mM	0.0634 mL	0.3168 mL	0.6337 mL	1.5842 mL
	40 mM	0.0475 mL	0.2376 mL	0.4753 mL	1.1881 mL
	50 mM	0.0380 mL	0.1901 mL	0.3802 mL	0.9505 mL
	60 mM	0.0317 mL	0.1584 mL	0.3168 mL	0.7921 mL
	80 mM	0.0238 mL	0.1188 mL	0.2376 mL	0.5941 mL
	100 mM	0.0190 mL	0.0951 mL	0.1901 mL	0.4753 mL

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(S)-Opnurasib

Cell Cycle/DNA Damage Compound Library

GPCR/G Protein Compound Library

Immunology/Inflammation Compound Library

Kinase Inhibitor Library

MAPK Compound Library

Anti-Cancer Compound Library

Clinical Compound Library

Anti-Aging Compound Library

Drug Repurposing Compound Library

Covalent Screening Library

Oxygen Sensing Compound Library

Ferroptosis Compound Library

Endoplasmic Reticulum Stress Compound Library

Glutamine Metabolism Compound Library

Anti-Lung Cancer Compound Library

Anti-Pancreatic Cancer Compound Library

Anti-Blood Cancer Compound Library

Angiogenesis-Related Compound Library

Anti-Liver Cancer Compound Library

Anti-Colorectal Cancer Compound Library

Membrane Protein-targeted Compound Library

Membrane Receptor-targeted Compound Library

Highly Selective Inhibitors Library

Anti-Hematopathy Compound Library

Multi-Target Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Covalent Screening Library Plus

Drug Repurposing Compound Library Plus

Clinical Compound Library Plus

Bioactive Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

Posttranslational Modification Library

Lactylation Compound Library

All Ras Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

(S)-Opnurasib Related Classifications

HY-139612A Related Classifications