2-Propen-1-one, 1-[6-[(4R)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]-

Product Name: 2-Propen-1-one, 1-[6-[(4R)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]-
CAS No.: 2653994-08-0
Chemical Name: 2-Propen-1-one, 1-[6-[(4R)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]-
Synonyms: JDQ-443;Opnurasib;NVP-JDQ443;JDQ443?(NVP-JDQ443);Opnurasib (JDQ-443);Opnurasib, 10 mM in DMSO;JDQ-443 (Synonyms: NVP-JDQ443);NVP-JDQ443|||JDQ-443|||Opnurasib;1-(6-(4-(5-Chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl)prop-2-en-1-one;2-Propen-1-one, 1-[6-[(4R)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]-
CBNumber: CB79709868
Molecular Formula: C29H28ClN7O
Formula Weight: 526.04
MOL File: 2653994-08-0.mol

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2-Propen-1-one, 1-[6-[(4R)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]- Property

Boiling point:: 737.3±60.0 °C(Predicted)
Density: 1.46±0.1 g/cm3(Predicted)
storage temp.: Store at -20°C
solubility: DMSO : 250 mg/mL (475.26 mM; Need ultrasonic)
pka: 12.55±0.40(Predicted)
form: Solid
color: White to off-white
InChIKey: AZUYLZMQTIKGSC-UHFFFAOYSA-N
SMILES: CC1N(C2CC3(CN(C(=O)C=C)C3)C2)N=C(C2=CC=C3N(C)N=CC3=C2)C=1C1C(=C(C)C=C2NN=CC=12)Cl

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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2-Propen-1-one, 1-[6-[(4R)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]- Chemical Properties,Usage,Production

Uses

JDQ443 is a RAS GTPase family covalent inhibitor currently in phase II trial in patients with nonsmall cell lung cancer (NSCLC) harboring the KRASG12C mutation who have received at least one prior systemic therapy.

General Description

Class: non-kinase; Treatment: KRAS(G12C) NSCLC; Elimination half-life: 7 h

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].

Animal Model:	KRAS G12C tumor-bearing nude mice (MIA PaCa-2 (PDAC); NCIH2122, LU99, HCC44, NCI-H2030 (NSCLC); and KYSE410 (esophageal cancer))^[2]
Dosage:	10, 30, 100 mg/kg
Administration:	Orally, daily for 14 days
Result:	Inhibited the growth of all models in a dose-dependent manner.

Animal Model:	Three KRAS G12C-mutated CDX models (LU99, NCI-H2030, and KYSE410)^[2]
Dosage:	100 mg/kg (JDQ443) + 7.5 mg/kg (TNO155)
Administration:	Orally, daily (JDQ443) or twice daily (TNO155), for 36 days
Result:	Combined with TNO155, showed either greater tumor efficacy compared with each agent alone (H2030, KYSE410) or a delayed time to tumor progression (LU99).

target

Primary targets: KRAS(G12C)

IC 50

KRas G12C

2-Propen-1-one, 1-[6-[(4R)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]- Preparation Products And Raw materials

Raw materials

Preparation Products

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2-Propen-1-one, 1-[6-[(4R)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]- Suppliers

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2653994-08-0, 2-Propen-1-one, 1-[6-[(4R)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]-Related Search:

2-Propen-1-one, 1-[6-[(4R)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]-

JDQ-443

JDQ-443 (Synonyms: NVP-JDQ443)

NVP-JDQ443

JDQ443?(NVP-JDQ443)

Opnurasib

NVP-JDQ443|||JDQ-443|||Opnurasib

1-(6-(4-(5-Chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl)prop-2-en-1-one

Opnurasib, 10 mM in DMSO

Opnurasib (JDQ-443)

2653994-08-0