Cas no 110522-75-3 (Ibu-deoxycytidine)

Ibu-deoxycytidine structure
Ibu-deoxycytidine structure
Product Name:Ibu-deoxycytidine
CAS No:110522-75-3
MF:C13H19N3O5
MW:297.3071
MDL:MFCD00079383
CID:138215
Update Time:2025-07-15

Ibu-deoxycytidine Chemical and Physical Properties

Names and Identifiers

    • N4-Isobutyryl-2'-deoxycytidine
    • N4-Isobutyryl-2′-deoxycytidine
    • 2'-DEOXY-N2-ISOBUTYRYLCYTIDINE
    • Cytidine,2'-deoxy-N-(2-methyl-1-oxopropyl)- (9CI)
    • IBU-DEOXYCYTIDINE
    • N<>-Isobutyryl-2'-deoxycytidine
    • 2'-Deoxy-N2-isobutyryl-a-cytidine
    • 2'-deoxy-N4-isobutyrylcytidine
    • ibu-dC
    • N4-ISOBUTYLRYL-2''-DEOXYCYTIDINE
    • N4-Isobutyryl-2‘-deoxycytidine
    • N4-ISOBUTYRYLDEOXYCYTIDINE
    • N4-isobutyryll-2'-deoxycytidine
    • NIBU-2'-DC
    • N-isobutyryl-2'-deoxycytidine
    • N-Isobutyryldeoxycytidine
    • N4-(ISOBUTYRYL)-2'-DEOXYCYTIDINE
    • C13H19N3O5
    • N-Isobutyryl-2-deoxycytidine
    • 2'-Deoxy-N-isobutyrylcytidine
    • (N4 -isobutyryl)-2'-deoxycytidine
    • 7266AH
    • N-(1-((2R,4S,5R)-4-HYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL)-2-OXO-1,2-DIHYDROPYRIMIDIN-4-YL)ISOBUTYRAMIDE
    • 2'-DEOXY-N2-ISOBUTYRYL-D-CYTIDINE
    • Cytidine,2'-deoxy-N-(2-methyl-1-ox
    • Ibu-deoxycytidine
    • MDL: MFCD00079383
    • Inchi: 1S/C13H19N3O5/c1-7(2)12(19)14-10-3-4-16(13(20)15-10)11-5-8(18)9(6-17)21-11/h3-4,7-9,11,17-18H,5-6H2,1-2H3,(H,14,15,19,20)/t8-,9+,11+/m0/s1
    • InChI Key: PDTIVAGPIHEWDX-IQJOONFLSA-N
    • SMILES: O1[C@]([H])(C([H])([H])[C@@]([H])([C@@]1([H])C([H])([H])O[H])O[H])N1C(N=C(C([H])=C1[H])N([H])C(C([H])(C([H])([H])[H])C([H])([H])[H])=O)=O

Computed Properties

  • Exact Mass: 297.13200
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 488
  • XLogP3: 0.1
  • Topological Polar Surface Area: 112

Experimental Properties

  • Density: 1.49±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (2.5 g/l) (25 o C),
  • PSA: 113.68000
  • LogP: -0.44850

Ibu-deoxycytidine Security Information

  • WGK Germany:3

Ibu-deoxycytidine Customs Data

  • HS CODE:29349990

Ibu-deoxycytidine Pricemore >>

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SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
N87210-1g
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¥106.0 2021-09-08
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abcr
AB312417-1 g
Ibu-deoxycytidine, 95%; .
110522-75-3 95%
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€87.80 2023-06-21
abcr
AB312417-5 g
Ibu-deoxycytidine, 95%; .
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€144.50 2023-06-21
abcr
AB312417-25 g
Ibu-deoxycytidine, 95%; .
110522-75-3 95%
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€336.70 2023-06-21

Ibu-deoxycytidine Production Method

Ibu-deoxycytidine Suppliers

NewCan Biotech Limited
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(CAS:110522-75-3)N4-Isobutyryl-2'-Deoxycytidine
Order Number:NC8619
Stock Status:
Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:19
Price ($):Price inquiry

Additional information on Ibu-deoxycytidine

Ibu-deoxycytidine (CAS No. 110522-75-3): An Overview of Its Structure, Properties, and Applications in Chemical Biology and Medicine

Ibu-deoxycytidine (CAS No. 110522-75-3) is a synthetic nucleoside that has garnered significant attention in the fields of chemical biology and medicinal chemistry due to its unique structure and potential therapeutic applications. This compound is a derivative of deoxycytidine, with an ibuprofen moiety attached, which imparts it with distinct chemical and biological properties. In this comprehensive overview, we will delve into the structural characteristics, physicochemical properties, and recent research advancements surrounding Ibu-deoxycytidine.

Structural Characteristics

The molecular structure of Ibu-deoxycytidine is a combination of the nucleoside deoxycytidine and the nonsteroidal anti-inflammatory drug (NSAID) ibuprofen. Deoxycytidine, a key component of DNA, consists of a cytosine base linked to a deoxyribose sugar. The addition of the ibuprofen moiety to the deoxyribose sugar creates a hybrid molecule that retains the nucleoside's biological activity while introducing new functionalities. The ibuprofen group is attached via an ether linkage to the 5'-position of the deoxyribose sugar, resulting in a compound with enhanced solubility and stability.

Physicochemical Properties

Ibu-deoxycytidine exhibits several notable physicochemical properties that make it an interesting candidate for various applications. Its molecular weight is approximately 347.34 g/mol, and it has a melting point in the range of 160-165°C. The compound is moderately soluble in water and organic solvents such as dimethyl sulfoxide (DMSO) and ethanol. These solubility characteristics are crucial for its use in both in vitro and in vivo studies.

The presence of the ibuprofen moiety also influences the compound's lipophilicity, which is an important factor in determining its cellular uptake and distribution. The lipophilic nature of ibuprofen enhances the ability of Ibu-deoxycytidine to cross cell membranes, potentially improving its bioavailability and therapeutic efficacy.

Biological Activity and Mechanisms of Action

Ibu-deoxycytidine has been studied for its potential as an antiviral agent, particularly against herpes simplex virus (HSV). Research has shown that this compound can inhibit viral replication by interfering with DNA synthesis. The mechanism of action involves the incorporation of Ibu-deoxycytidine into viral DNA during replication, leading to chain termination and inhibition of viral DNA synthesis.

In addition to its antiviral properties, Ibu-deoxycytidine has also been investigated for its anti-inflammatory effects. The ibuprofen moiety contributes to this activity by inhibiting cyclooxygenase (COX) enzymes, which are involved in the production of prostaglandins—key mediators of inflammation. This dual mechanism of action makes Ibu-deoxycytidine a promising candidate for treating conditions where both viral infection and inflammation are present.

Clinical Applications and Research Developments

The potential clinical applications of Ibu-deoxycytidine are diverse and promising. One area of active research is its use in the treatment of viral infections such as HSV and human cytomegalovirus (HCMV). Preclinical studies have demonstrated that Ibu-deoxycytidine can effectively reduce viral load and alleviate symptoms in animal models. These findings have paved the way for further clinical trials to evaluate its safety and efficacy in human patients.

Beyond antiviral therapy, there is growing interest in exploring the anti-inflammatory properties of Ibu-deoxycytidine. Chronic inflammatory conditions such as rheumatoid arthritis and inflammatory bowel disease (IBD) could potentially benefit from this compound's dual mechanism of action. Clinical trials are currently underway to assess the therapeutic potential of Ibu-deoxycytidine in these settings.

Safety Profile and Future Directions strong> p > < p >The safety profile ofIbu-deoxycytidine strong >is an important consideration for its clinical development . Preclinical studies have indicated thatIbu-deoxycytidine strong >is generally well-tolerated at therapeutic doses , with minimal side effects observed . However , further research is needed to fully characterize its safety profile , especially in long-term use . p > < p >Future directions for research onIbu-deoxycytidine strong >include optimizing its formulation for improved bioavailability , exploring combination therapies with other antiviral or anti-inflammatory agents , and investigating its potential use in novel indications such as cancer treatment . Additionally , advances in synthetic methods may lead to more efficient production processes , makingIbu-deoxycytidine strong >more accessible for widespread clinical use . p > < p >< strong >Conclusion strong > p > < p >< strong >Ibu-deoxycytidine strong >(CAS No . 110522-75-3 ) represents a promising compound with unique structural features and diverse biological activities . Its potential as an antiviral agent , anti-inflammatory drug , and therapeutic candidate for various diseases underscores its significance in chemical biology and medicinal chemistry . Ongoing research continues to uncover new insights into its mechanisms of action , safety profile , and clinical applications , paving the way for future developments in this exciting field . p > article > < / response >

Recommended suppliers
NewCan Biotech Limited
(CAS:110522-75-3)N4-Isobutyryl-2'-Deoxycytidine
NC8619
Purity:97%
Quantity:10g
Price ($):Inquiry
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