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Cat. No.: HY-151339

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Antitubercular agent-31

Antitubercular agent-31 (Compound 2) is an antitubercular agent with an MIC of 0.03 μM against M. tuberculosis H37Rv. Antitubercular agent-31 also inhibits DprE1 with an IC₅₀ of 1.1 μM.

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

CAS No.: 2764818-29-1
Formula: C₂₀H₂₄F₂N₄O₅S₂
Molecular Weight:502.56

Storage:

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

Data Sheet (272 KB)

Antitubercular agent-31 Chemical Structure

CAS No.: 2764818-29-1

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Biological Activity
- Description
- IC₅₀ & Target
- In Vitro
- In Vivo
Chemical Information
Purity & Documentation
References
Calculators
Help & FAQs
Classifications
Bioz

Biological Activity

Description

IC₅₀ & Target

IC₅₀: 1.1 μM (DprE1)^[1]

In Vitro

Antitubercular agent-31 (Compound 2) shows aqueous solubility of 0.81 μg/mL in phosphate buffer pH 7.4. The plasma protein binding property is 97.9%^[1].
Antitubercular agent-31 shows acceptable liver microsomal stability in human and mouse liver microsomes^[1].

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

In Vivo

Antitubercular agent-31 (10 or 2 mg/kg; p.o. or i.v.; once) displays an acceptable pharmacokinetics (PK) profile with only dosing i.v., shows either poor membrane permeability or rapid clearance rate in vivo^[1].

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

Animal Model:

Male Balb/c mice^[1]
Dosage:

10 mg/kg or 2 mg/kg
Administration:

Oral (10 mg/kg) or intravenous (2 mg/kg) administration (Pharmacokinetic Analysis)

Result:

PK data for Antitubercular agent-31 (Compound 2),iv, 2mg/kg^[1].

T_max (h)	C_max (ng/mL)	AUC_0-t (h*ng/mL)	AUC_0-∞ (h*ng/mL)	T_1/2 (h)	CL/F (mL/h/kg)	MRT_0-∞ (h)
0.1±0.0	463.4±103.4	158.2±18.8	161.3±18.6	0.3±0.0	12515.5±1379.7	0.4±0.0

No compound signal was detected at oral administration.

Chemical Information

CAS No. 2764818-29-1
Molecular Weight 502.56
Formula C₂₀H₂₄F₂N₄O₅S₂
SMILES

O=C1N=C(N2CCN(CC3CCC(F)(F)CC3)CC2)SC4=C([N+]([O-])=O)C=C(S(=O)(C)=O)C=C14
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 (272 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]. Shi R, et al. Development of 6-Methanesulfonyl-8-nitrobenzothiazinone Based Antitubercular Agents. ACS Med Chem Lett. 2022 Mar 10;13(4):593-598. [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.

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100 mg

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