KRAS inhibitor-31

Cat. No.: HY-159652 Purity: 99.36%: Data Sheet
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KRAS inhibitor-31 (compound 33) is a KRAS inhibitor, with K_D (SPR) values of 0.019 nM, 0.019 nM and 0.096 nM for KRas G12D, KRas G12C and KRas G12V, respectively.

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

KRAS inhibitor-31 Chemical Structure

CAS No. : 2920695-77-6

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5 mg		Check price and availability
10 mg		Check price and availability
25 mg		Check price and availability

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Purity & Documentation
References
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Description

KRAS inhibitor-31 (compound 33) is a KRAS inhibitor, with K_D (SPR) values of 0.019 nM, 0.019 nM and 0.096 nM for KRas G12D, KRas G12C and KRas G12V, respectively^[1].

IC₅₀ & Target^[1]

KRas G12D

0.019 nM (Kd)

KRas G12C

0.019 nM (Kd)

KRas G12V

0.096 nM (Kd)

In Vitro

KRAS inhibitor-31 (compound 33) exhibits IC₅₀ values of 1.1 nM, 3.9 nM and 6.6 nM in Panc08.13, H358 and SW620 cells, respectively^[1].

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

Molecular Weight

617.62

Formula

C₃₃H₃₀F₃N₅O₄

CAS No.

2920695-77-6

Appearance

Solid

Color

White to off-white

SMILES

FC1=C(C2=CC(O)=CC3=C2C(C#C)=C(F)C=C3)N=C4OC[C@@](COCCC5)([H])N5C6=C4C1=NC(OC[C@@]78N(CCC8)C[C@@H](C7)F)=N6

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

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

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (161.91 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	1.6191 mL	8.0956 mL	16.1912 mL
5 mM	0.3238 mL	1.6191 mL	3.2382 mL
10 mM	0.1619 mL	0.8096 mL	1.6191 mL

View the Complete Stock Solution Preparation Table

* 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.

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

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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In Vivo Dissolution Calculator

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Working solution concentration: mg/mL

Purity & Documentation

Purity: 99.36%

Select Batch:

Data Sheet (280 KB) SDS (251 KB)

COA (264 KB) HNMR (336 KB) LCMS (105 KB)

Handling Instructions (2659 KB)

References

[1]. Jacob Cole DEFOREST, et al. Pyrido[4,3-d]pyrimidine compounds. Patent WO2024009191.

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	1.6191 mL	8.0956 mL	16.1912 mL	40.4780 mL
	5 mM	0.3238 mL	1.6191 mL	3.2382 mL	8.0956 mL
	10 mM	0.1619 mL	0.8096 mL	1.6191 mL	4.0478 mL
	15 mM	0.1079 mL	0.5397 mL	1.0794 mL	2.6985 mL
	20 mM	0.0810 mL	0.4048 mL	0.8096 mL	2.0239 mL
	25 mM	0.0648 mL	0.3238 mL	0.6476 mL	1.6191 mL
	30 mM	0.0540 mL	0.2699 mL	0.5397 mL	1.3493 mL
	40 mM	0.0405 mL	0.2024 mL	0.4048 mL	1.0119 mL
	50 mM	0.0324 mL	0.1619 mL	0.3238 mL	0.8096 mL
	60 mM	0.0270 mL	0.1349 mL	0.2699 mL	0.6746 mL
	80 mM	0.0202 mL	0.1012 mL	0.2024 mL	0.5060 mL
	100 mM	0.0162 mL	0.0810 mL	0.1619 mL	0.4048 mL