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Cat. No.: HY-189035

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1,3-PBITU

1,3-PBITU is an eNOS inhibitor (K_i = 9 μM) that inhibits NO Synthase. 1,3-PBITU reduces venular hydraulic conductivity in the frog mesenteric venule model. 1,3-PBITU blocks apoptosis induced by 4‑HPR and by 4‑HPR combined with Trastuzumab (HY-P9907) in HER2-overexpressing breast cancer cells, demonstrating that NO is an essential mediator of this apoptotic pathway. 1,3-PBITU can be used in research related to NOS-mediated diseases.

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

CAS No.: 157254-42-7
Formula: C₁₂H₁₈N₄S₂
Molecular Weight:282.43

Storage:

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

Data Sheet (276 KB)

1,3-PBITU Chemical Structure

CAS No.: 157254-42-7

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Use of MCE Products

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

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

Description

IC₅₀ & Target

^[1]

eNOS

9 μM (Ki)

All NO Synthase Isoforms :

In Vitro

Anti-cancerApoptosisOxidative StressOthers

Anti-cancer

Apoptosis

1,3-PBITU (10 μM; 5 days) reduces 4-HPR combined with Trastuzumab-induced sub-G1 apoptosis in BT474 cells to 6.7%^[2].

Anti-cancer

Oxidative Stress

1,3-PBITU (5 μM; 5 days) inhibits 4-HPR (HY-15373)-induced nitrite production in MCF-7/HER2 cells^[2].
1,3-PBITU (10 μM; 5 days) inhibits the 4-HPR plus Trastuzumab (HY-P9907)-induced nitrite from 120.6 μM per 10⁶ cells to 40.8 μM in BT474 cells and increases the cell number from 21.5 × 10⁴ to 47.5 × 10⁴^[2].

Others

1,3-PBITU is a bis-isothiourea eNOS inhibitor; compared with 1,4-PBITU, its binding conformation is bent, it has fewer van der Waals interactions between the phenyl ring and Val-338, and its K_iis 9 μM^[1].

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

Cell Viability Assay^[3]

Cell Line:

BT474 breast cancer cells
Concentration:

1 and 10 μM (alone, with 4-HPR 1 μM, with 4-HPR 1 μM plus Trastuzumab 0.1 μM)
Incubation Time:

5 days
Result:

Suppressed 4‑HPR‑ and 4‑HPR/trastuzumab‑triggered nitrite accumulation and rescued cell viability; at 10 μM, it lowered 4‑HPR + trastuzumab‑elicited nitrite from 120.6 to 40.8 μM per 10⁶ cells and raised cell count from 21.5 to 47.5 × 10⁴.

Apoptosis Analysis^[3]

Cell Line:

BT474 breast cancer cells
Concentration:

10 μM (alone, with 4-HPR 1 μM, with 4-HPR 1 μM plus Trastuzumab 0.1 μM)
Incubation Time:

5 days
Result:

Reduced 4-HPR plus trastuzumab-induced sub-G1 apoptosis to 6.7% in BT474 cells.

Related Protocols :

Chemical Information

CAS No. 157254-42-7
Molecular Weight 282.43
Formula C₁₂H₁₈N₄S₂
SMILES

N=C(N)SCCC1=CC=CC(CCSC(N)=N)=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 (276 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]. Raman CS, et al. Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase. The Journal of biological chemistry. 2001 Jul 13;276(28):26486-91.

[2]. Simeone AM, et al. HER2/neu reduces the apoptotic effects of N-(4-hydroxyphenyl)retinamide (4-HPR) in breast cancer cells by decreasing nitric oxide production. Oncogene. 2003 Oct 02;22(43):6739-47.

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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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Biological Activity
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- In Vitro
Chemical Information
Purity & Documentation
References

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1,3-PBITU

All NO Synthase Isoforms

Biological Activity

Description

IC50 & Target

In Vitro

Chemical Information

Purity & Documentation

References

Calculators

Help & FAQs

1,3-PBITU Related Classifications

HY-189035 Related Classifications

Bioz

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