Cat. No.: HY-N4201

β-Hydroxyisovalerylshikonin

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Beta-hydroxyisovalerylshikonin is a natural product isolated from Lithospermum erythrorhizon, acts as a potent inhibitor of protein tyrosine kinases (PTK), with IC₅₀s of 0.7μM and 1μM for EGFR and v-Src receptor, respectively. Beta-hydroxyisovalerylshikonin is effective against a wide variety of tumor cell lines, and most efficiently induces cell-death in NCI-H522 and DMS114 cells.

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

Purity: 99.83%
CAS No.: 7415-78-3
Formula: C₂₁H₂₄O₇
Molecular Weight:388.41

Storage:

4°C, protect from light

* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

β-Hydroxyisovalerylshikonin Chemical Structure

CAS No.: 7415-78-3

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Top Publications Citing

Use of MCE Products

Antibody-Drug Conjugates

One-stop solution for XDC (ADC/PDC/RDC/ApDC/FDC/ISAC/VDC/SMDC)

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
Chemical Information
Solvent & Solubility
- In Vitro
- In Vivo
Purity & Documentation
References
Help & FAQs
Classifications
Bioz

Biological Activity

Description

IC₅₀ & Target

IC50: 0.7 μM (EGFR), 1 μM (v-Src)^[1]

All EGFR Isoforms :

All Src Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
BTI-TN-5B1-4	IC₅₀	169.8 μM Compound: 3	Inhibition of human ACAT2 expressed in Hi5 cells Inhibition of human ACAT2 expressed in Hi5 cells	[PMID: 17157006]
BTI-TN-5B1-4	IC₅₀	186.9 μM Compound: 3	Inhibition of human ACAT1 expressed in Hi5 cells Inhibition of human ACAT1 expressed in Hi5 cells	[PMID: 17157006]
CCRF-CEM	IC₅₀	0.6 μM Compound: 1	Cytotoxicity against human CCRF-CEM cells after 72 hrs by XTT assay Cytotoxicity against human CCRF-CEM cells after 72 hrs by XTT assay	[PMID: 22530779]
DU-145	IC₅₀	16.8 μM Compound: 2, beta-HIVS	Cytotoxicity against human DU145 cells by MTT assay Cytotoxicity against human DU145 cells by MTT assay	[PMID: 21689869]
HCT-116	IC₅₀	0.37 μM Compound: 14	Cytotoxicity against MDR1 Pgp under-expressing human HCT116 cells after 24 hrs by MTT assay Cytotoxicity against MDR1 Pgp under-expressing human HCT116 cells after 24 hrs by MTT assay	[PMID: 17949858]
HCT-116	IC₅₀	4.1 μM Compound: 1	Cytotoxicity against human HCT116 cells after 72 hrs by XTT assay Cytotoxicity against human HCT116 cells after 72 hrs by XTT assay	[PMID: 22530779]
HeLa	IC₅₀	55 μM Compound: 2, beta-HIVS	Cytotoxicity against human HeLa cells by MTT assay Cytotoxicity against human HeLa cells by MTT assay	[PMID: 21689869]
HepG2	IC₅₀	0.59 μM Compound: 14	Cytotoxicity against MDR1 Pgp overexpressing human HepG2 cells after 24 hrs by MTT assay Cytotoxicity against MDR1 Pgp overexpressing human HepG2 cells after 24 hrs by MTT assay	[PMID: 17949858]
MDA-MB-231	IC₅₀	4.6 μM Compound: 1	Cytotoxicity against human MDA-MB-231 cells after 72 hrs by XTT assay Cytotoxicity against human MDA-MB-231 cells after 72 hrs by XTT assay	[PMID: 22530779]
MRC5	IC₅₀	3.9 μM Compound: 1	Cytotoxicity against human MRC5 cells after 72 hrs by XTT assay Cytotoxicity against human MRC5 cells after 72 hrs by XTT assay	[PMID: 22530779]
SBcl2	IC₅₀	8.3 μM Compound: 1	Cytotoxicity against human SBcl2 cells after 72 hrs by XTT assay Cytotoxicity against human SBcl2 cells after 72 hrs by XTT assay	[PMID: 22530779]
U-251	IC₅₀	23.6 μM Compound: 1	Cytotoxicity against human U251 cells after 72 hrs by XTT assay Cytotoxicity against human U251 cells after 72 hrs by XTT assay	[PMID: 22530779]
WM164	IC₅₀	30.9 μM Compound: 1	Cytotoxicity against human WM164 cells after 72 hrs by XTT assay Cytotoxicity against human WM164 cells after 72 hrs by XTT assay	[PMID: 22530779]

Chemical Information

CAS No. 7415-78-3
Appearance Solid
Molecular Weight 388.41
Formula C₂₁H₂₄O₇
Color Brown to black
SMILES

CC(C)(O)CC(O[C@@H](C(C1=O)=CC(C2=C1C(O)=CC=C2O)=O)C/C=C(C)\C)=O
Structure Classification
- Quinones
- Naphthalene Quinones
- Phenols
- Polyphenols
Initial Source
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

4°C, protect from light

* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

Solvent & Solubility

In Vitro:

DMSO : 10 mg/mL (25.75 mM; ultrasonic and warming and heat to 60°C; 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

2.5746 mL

12.8730 mL

25.7460 mL

5 mM

0.5149 mL

2.5746 mL

5.1492 mL

10 mM

0.2575 mL

1.2873 mL

2.5746 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 (protect from light). 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)

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

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

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline

Solubility: ≥ 1 mg/mL (2.57 mM); Clear solution

This protocol yields a clear solution of ≥ 1 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (10.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: ≥ 1 mg/mL (2.57 mM); Clear solution

This protocol yields a clear solution of ≥ 1 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (10.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Working solution concentration: 0.22 mg/mL

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (277 KB)
SDS (480 KB)
- English - EN (480 KB)
- Français - FR (480 KB)
- Deutsch - DE (480 KB)
- Norwegian - NO (480 KB)
- Español - ES (480 KB)
- Swedish - SV (480 KB)
- Italian - IT (480 KB)
- Korean - KR (480 KB)
- Portuguese - PT (480 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]. Hashimoto S, et al. Beta-hydroxyisovalerylshikonin is a novel and potent inhibitor of protein tyrosine kinases. Jpn J Cancer Res. 2002 Aug;93(8):944-51. [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

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.5746 mL	12.8730 mL	25.7460 mL	64.3650 mL
	5 mM	0.5149 mL	2.5746 mL	5.1492 mL	12.8730 mL
	10 mM	0.2575 mL	1.2873 mL	2.5746 mL	6.4365 mL
	15 mM	0.1716 mL	0.8582 mL	1.7164 mL	4.2910 mL
	20 mM	0.1287 mL	0.6436 mL	1.2873 mL	3.2182 mL
	25 mM	0.1030 mL	0.5149 mL	1.0298 mL	2.5746 mL

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β-Hydroxyisovalerylshikonin

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All EGFR Isoforms

All Src Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

β-Hydroxyisovalerylshikonin Related Classifications

Cat. No.: HY-N4201