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Cat. No.: HY-153499

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SMO-IN-4

SMO-IN-4 (Compound 24) is a potent and orally active smoothened antagonist (IC₅₀: 24 nM). SMO-IN-4 has antitumor activity.

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

CAS No.: 1567963-99-8
Formula: C₂₄H₂₇ClN₆O
Molecular Weight:450.96

Storage:

Please store the product under the recommended conditions in the Certificate of Analysis.

Data Sheet (269 KB)

SMO-IN-4 Chemical Structure

CAS No.: 1567963-99-8

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Use of MCE Products

Fluorescent Dye

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

Biological Activity
- Description
- In Vitro
- In Vivo
Chemical Information
Purity & Documentation
References
Calculators
Help & FAQs
Classifications
Bioz

Biological Activity

Description

SMO-IN-4 (Compound 24) is a potent and orally active smoothened antagonist (IC₅₀: 24 nM). SMO-IN-4 has antitumor activity^[1].

In Vitro

SMO-IN-4 (10 μM) shows minimal inhibition of all CYP isoforms, and also has low inhibition on hERG (IC₅₀ = 38 µM)^[1].

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

In Vivo

SMO-IN-4 (50 mg/kg, daily by oral gavage) leads to regression of subcutaneous tumor in a subcutaneous xenograft model of Ptch1^+/- mouse medulloblastoma^[2].
PK properties of SMO-IN-4 (compound 24)^[2].

Species	Dose (mg/kg)	AUC_0-24h (ng·h/mL)	C_max (ng/mL)	t_1/2 (h)	F%
Mouse	p.o. (10 mg/kg)	4183	4132	1.0	49
Rat	p.o. (10 mg/kg)	5541	2180	2.3	62
Dog	p.o. (5 mg/kg)	7656	1300	5.4	72

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

Chemical Information

CAS No. 1567963-99-8
Molecular Weight 450.96
Formula C₂₄H₂₇ClN₆O
SMILES

ClC1=CN=C(N2CC3=CN=C(N4CCC(CC4)O)N=C3CC2)C=C1C5=C(C)C=C(C)C=N5
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (269 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]. Lu W, et al. Design, Synthesis, and Structure-Activity Relationship of Tetrahydropyrido[4,3-d]pyrimidine Derivatives as Potent Smoothened Antagonists with in Vivo Activity. ACS Chem Neurosci. 2017 Sep 20;8(9):1980-1994. [Content Brief]

Calculators

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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.

Keywords

100 mg

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