Antituberculosis agent-9

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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.

Antituberculosis agent-9 Chemical Structure

CAS No. : 2998587-72-5

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References
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Description

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

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

Molecular Weight

436.98

Formula

C₂₅H₂₉ClN₄O

CAS No.

2998587-72-5

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

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]