(S)-JDQ-443 free base · Synonyms: (S)-NVP-JDQ443

(S)-JDQ-443 is an isomer of JDQ-443.

For research use only. Not for human or veterinary use.

Target Drug Isomer Ras PERK

Research area Inflammation/Immunology Cancer

Purity >98% Stock Inquire

Data Sheet SDS COA

(S)-JDQ-443 structure

CAS No.: 2653994-10-4

Download structure (.mol)

Pack sizes & pricing

Size	Price	SKU	Stock
10 mg	USD 435.00	BP-02040-10mg	In stock	Get quote
25 mg	USD 830.00	BP-02040-25mg	In stock	Get quote
50 mg	USD 1,240.00	BP-02040-50mg	In stock	Get quote
100 mg	USD 1,860.00	BP-02040-100mg	In stock	Get quote
250 mg	Inquire	BP-02040-250mg	In stock	Inquire
500 mg	Inquire	BP-02040-500mg	In stock	Inquire

Need another size or custom synthesis? Request a quote.

Description

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

Biological activity

In Vitro Opnurasib traps the GDP-bound inactive conformation of KRAS. 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. 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. In Vivo Opnurasib (10-100 mg/kg, Orally, daily for 14 days) shows antitumor activity in KRAS G12C-mutated CDX models. 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. Opnurasib generates categorical antitumor responses in PDX models of NSCLC and colorectal tumors that are improved by combination treatment with other agents.

Identifiers

SMILES: O=C(N1CC2(CC(C2)N3N=C([C@@]([C@@]4=C(Cl)C(C)=CC5=C4C=NN5)=C3C)C6=CC=C7C(C=NN7C)=C6)C1)C=C
InChIKey: AZUYLZMQTIKGSC-UHFFFAOYSA-N

Specifications

MW (average): 526.0320
Formula: C₂₉H₂₈ClN₇O
CAS No.: 2653994-10-4
Physical state: Solid
Color: Off-white to light yellow
Shipping: 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: Powder -20°C, 3 years , 4°C, 2 years ; In solvent -20°C, 1 month

Solubility

Soluble in DMSO : 100 mg/mL

Documents

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.

Same target

Search Drug Isomer

Same research area

Search Inflammation/Immunology