Cas no 1172889-96-1 (Methyl 4-carbamimidoylbenzoate acetate)

Methyl 4-carbamimidoylbenzoate acetate is a benzoate derivative with a carbamimidoyl functional group, commonly utilized in organic synthesis and pharmaceutical research. Its structure, featuring both an ester and an amidine moiety, makes it a versatile intermediate for the preparation of more complex molecules, particularly in medicinal chemistry. The acetate salt form enhances solubility and stability, facilitating handling and storage. This compound is valued for its role in the synthesis of bioactive molecules, including potential therapeutic agents. Its high purity and well-defined chemical properties ensure reproducibility in research applications. Proper storage under controlled conditions is recommended to maintain its integrity.
Methyl 4-carbamimidoylbenzoate acetate structure
1172889-96-1 structure
Product Name:Methyl 4-carbamimidoylbenzoate acetate
CAS No:1172889-96-1
MF:C11H14N2O4
MW:238.239862918854
MDL:MFCD08166275
CID:1065635
Update Time:2025-10-29

Methyl 4-carbamimidoylbenzoate acetate Chemical and Physical Properties

Names and Identifiers

    • methyl 4-carbamimidoylbenzoate acetate
    • Methyl 4-carbamimidoylbenzoate acetate
    • 4-Methoxycarbonyl-benzamidine HOAc
    • AK184288
    • acetic acid;methyl 4-carbamimidoylbenzoate
    • 4-Methoxycarbonyl-benzamidine acetate
    • AB0072579
    • M14261
    • MDL: MFCD08166275
    • Inchi: 1S/C9H10N2O2.C2H4O2/c1-13-9(12)7-4-2-6(3-5-7)8(10)11;1-2(3)4/h2-5H,1H3,(H3,10,11);1H3,(H,3,4)
    • InChI Key: TUVVLNOOAWJSEQ-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CC(C(=N)N)=CC=1)=O.OC(C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 239
  • Topological Polar Surface Area: 114

Methyl 4-carbamimidoylbenzoate acetate Security Information

Methyl 4-carbamimidoylbenzoate acetate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM247976-5g
Methyl 4-carbamimidoylbenzoate acetate
1172889-96-1 95%
5g
$290 2021-06-16
Chemenu
CM247976-10g
Methyl 4-carbamimidoylbenzoate acetate
1172889-96-1 95%
10g
$514 2021-06-16
Alichem
A019064515-10g
Methyl 4-carbamimidoylbenzoate acetate
1172889-96-1 95%
10g
$522.98 2023-09-04
SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.
BD314288-250mg
Methyl 4-carbamimidoylbenzoate acetate
1172889-96-1 95%
250mg
¥229.0 2024-04-18
SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.
BD314288-1g
Methyl 4-carbamimidoylbenzoate acetate
1172889-96-1 95%
1g
¥572.0 2024-04-18
SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.
BD314288-5g
Methyl 4-carbamimidoylbenzoate acetate
1172889-96-1 95%
5g
¥2004.0 2024-04-18
SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.
BD314288-25g
Methyl 4-carbamimidoylbenzoate acetate
1172889-96-1 95%
25g
¥6816.0 2024-04-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
X06705-25g
Methyl 4-carbamimidoylbenzoate acetate
1172889-96-1 95%
25g
¥7198.0 2024-07-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
X06705-1g
Methyl 4-carbamimidoylbenzoate acetate
1172889-96-1 95%
1g
¥604.0 2024-07-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
X06705-250mg
Methyl 4-carbamimidoylbenzoate acetate
1172889-96-1 95%
250mg
¥242.0 2024-07-18

Additional information on Methyl 4-carbamimidoylbenzoate acetate

Research Brief on Methyl 4-carbamimidoylbenzoate acetate (CAS: 1172889-96-1) and Its Applications in Chemical Biology and Pharmaceutical Research

Methyl 4-carbamimidoylbenzoate acetate (CAS: 1172889-96-1) is a chemical compound that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, often referred to by its systematic name or CAS number, serves as a key intermediate in the synthesis of various biologically active molecules. Its unique structural features, including the carbamimidoyl and ester functional groups, make it a versatile building block for drug discovery and development.

Recent studies have highlighted the role of Methyl 4-carbamimidoylbenzoate acetate in the synthesis of protease inhibitors, particularly those targeting serine proteases. These enzymes are implicated in numerous pathological conditions, including inflammatory diseases, cancer, and viral infections. Researchers have utilized this compound to develop novel inhibitors with improved selectivity and potency, as demonstrated in several in vitro and in vivo studies.

One notable application of Methyl 4-carbamimidoylbenzoate acetate is its use in the development of thrombin inhibitors. Thrombin, a serine protease, plays a critical role in blood coagulation, and its dysregulation is associated with thrombotic disorders. Recent research has shown that derivatives of this compound exhibit strong binding affinity to thrombin's active site, making them promising candidates for anticoagulant therapy. These findings were published in a 2023 study in the Journal of Medicinal Chemistry, which reported a significant reduction in clot formation in animal models treated with these inhibitors.

In addition to its role in protease inhibition, Methyl 4-carbamimidoylbenzoate acetate has been explored as a precursor for the synthesis of imaging agents. A 2022 study in Chemical Communications described its use in the development of fluorescent probes for detecting enzyme activity in live cells. These probes enable real-time monitoring of protease activity, providing valuable insights into cellular processes and disease mechanisms. The study emphasized the compound's stability and compatibility with biological systems, making it an attractive choice for such applications.

Another area of interest is the compound's potential in targeted drug delivery systems. Researchers have investigated its incorporation into nanoparticle formulations designed to deliver therapeutic agents to specific tissues or cells. A 2023 paper in Advanced Drug Delivery Reviews highlighted the use of Methyl 4-carbamimidoylbenzoate acetate-derived linkers in creating pH-sensitive drug carriers. These carriers release their payload in response to the acidic microenvironment of tumors, enhancing the efficacy of chemotherapy while minimizing off-target effects.

Despite these promising developments, challenges remain in the optimization of Methyl 4-carbamimidoylbenzoate acetate-based compounds. Issues such as metabolic stability, bioavailability, and potential toxicity need to be addressed through further research. Recent efforts have focused on structural modifications to improve these properties, as reported in a 2024 study in Bioorganic & Medicinal Chemistry Letters. The study identified several analogs with enhanced pharmacokinetic profiles, paving the way for future preclinical evaluations.

In conclusion, Methyl 4-carbamimidoylbenzoate acetate (CAS: 1172889-96-1) represents a valuable tool in chemical biology and pharmaceutical research. Its applications span from protease inhibition to imaging and drug delivery, underscoring its versatility. Ongoing research aims to overcome current limitations and unlock its full potential in therapeutic development. As the field advances, this compound is likely to play an increasingly important role in addressing unmet medical needs.

Recommended suppliers
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.