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Cat. No.: HY-149064

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Antituberculosis agent-9

Antituberculosis agent-9 (Compound 5a) is an orally active antitubercular agent with an MIC of 0.5 μg/mL against H37Ra.

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

CAS No.: 2998587-72-5
Formula: C₂₅H₂₉ClN₄O
Molecular Weight:436.98

Storage:

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

Data Sheet (275 KB)

Antituberculosis agent-9 Chemical Structure

CAS No.: 2998587-72-5

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Use of MCE Products

Fluorescent Dye

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

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

Biological Activity

Description

Antituberculosis agent-9 (Compound 5a) is an orally active antitubercular agent with an MIC of 0.5 μg/mL against H37Ra^[1].

Cellular Effect

Cell Line	Type	Value	Description	References
HepG2	IC₅₀	3.1 μM Compound: 5a	Cytotoxicity against human HepG2 cells assessed as inhibition of cell growth incubated for 48 hrs by MTT assay Cytotoxicity against human HepG2 cells assessed as inhibition of cell growth incubated for 48 hrs by MTT assay	[PMID: 36735271]

In Vitro

Antituberculosis agent-9 (Compound 5a; 48 h) shows cytotoxicity against HepG2 cells with an IC₅₀ value of 3.1 μM^[1].
Antituberculosis agent-9 (6 days) also shows inhibitory activities against MRSA, M. abscessus and M. smegmatis with MICs of 4.0 μg/mL^[1].
Antituberculosis agent-9 (6 days) shows inhibitory activities against clinical isolates of M. tuberculosis with MICs of 0.5, 0.5, 0.5, 1.0 and 1.0 μg/mL for H37Rv, K4, K12, K5 and K16, respectively^[1].

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

In Vivo

Antituberculosis agent-9 (Compound 5a; 300 mg/kg; oral; daily for 4 days) shows moderate antitubercular efficacy in mice^[1].

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

Animal Model:

Female BALB/c mice, autoluminescent Mtb infection model^[1]
Dosage:

300 mg/kg
Administration:

Oral administration, daily for 4 days
Result:

There was a relative light unit (RLU) reduction of 0.5 log₁₀ in live mice, compared to the control group (CMC-Na).

Animal Model:

Sprague-Dawley rats^[1]
Dosage:

5 or 15 mg/kg
Administration:

IV or PO (Pharmacokinetic Analysis)

Result:

Pharmacokinetic Parameters of Antituberculosis agent-9 (Compound 5a) In Vivo^[1]

cpd.	administration	C_max (μg/L)	T_max (h)	T_1/2 (h)	Clz (L/h/kg)	AUC_0-t (μg/L•h)	F %
Antituberculosis agent-9 (Compound 5a)	iv (5 mg/kg)	595 ± 62		26.2 ± 0.9	1.5 ± 0.3	1694 ± 201
	po (15 mg/kg)	108 ± 18	>24			2079 ± 274	40.7

Chemical Information

CAS No. 2998587-72-5
Molecular Weight 436.98
Formula C₂₅H₂₉ClN₄O
SMILES

CC1=C(C2CCNCC2)C=C(OC(C)C)C(NC3=C(Cl)C=NC(C4=CC=CC=C4)=N3)=C1
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 (275 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]. Li C, et al. Structure-Activity Relationship of Novel Pyrimidine Derivatives with Potent Inhibitory Activities against Mycobacterium tuberculosis. J Med Chem. 2023 Feb 23;66(4):2699-2716. [Content Brief]

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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.

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