Cas no 674799-96-3 (6-[[4-(aminomethyl)phenyl]methoxy]-9H-purin-2-amine)

6-[[4-(Aminomethyl)phenyl]methoxy]-9H-purin-2-amine is a purine derivative featuring an aminomethylphenylmethoxy substituent at the 6-position and an amino group at the 2-position of the purine core. This compound is of interest in medicinal chemistry due to its structural resemblance to adenosine analogs, making it a potential candidate for enzyme inhibition or receptor modulation. The presence of the aminomethyl group enhances solubility and provides a reactive handle for further derivatization. Its well-defined molecular structure allows for precise biochemical applications, particularly in nucleotide-related research. The compound's stability under physiological conditions further supports its utility in experimental and therapeutic investigations.
6-[[4-(aminomethyl)phenyl]methoxy]-9H-purin-2-amine structure
674799-96-3 structure
Product Name:6-[[4-(aminomethyl)phenyl]methoxy]-9H-purin-2-amine
CAS No:674799-96-3
MF:C13H14N6O
MW:270.28986120224
MDL:MFCD07367624
CID:966106
PubChem ID:25149605
Update Time:2025-06-22

6-[[4-(aminomethyl)phenyl]methoxy]-9H-purin-2-amine Chemical and Physical Properties

Names and Identifiers

    • 6-((4-(Aminomethyl)benzyl)oxy)-7H-purin-2-amine
    • O6-[4-(Aminomethyl)benzyl]guanine
    • O-[4-(Aminomethyl)benzyl]guanine
    • 6-(4-(aminomethyl)benzyloxy)-9H-purin-2-amine
    • 6-[[4-(AMinoMethyl)phenyl]Methoxy]-1H-purin-2-aMine
    • 6-[[4-(Aminomethyl)phenyl]methoxy]-7H-purin-2-amine
    • O6-(4-aminomethyl)benzylguanine
    • 6-((4-(Aminomethyl)benzyl)oxy)-9H-purin-2-amine
    • C13H14N6O
    • 1H-Purin-2-amine, 6-[[4-(aminomethyl)phenyl]methoxy]-
    • BCP23591
    • RB3273
    • AX8
    • 6-[[4-(aminomethyl)phenyl]methoxy]-9H-purin-2-amine
    • MFCD07367624
    • SY047354
    • DS-14699
    • CHEMBL520064
    • AKOS016006014
    • SCHEMBL3720508
    • A867259
    • LCZC340
    • SCHEMBL23124359
    • PD135993
    • 674799-96-3
    • 6-[[4-(AMinoMethyl)phenyl]Methoxy]-1H-purin-2-aMine 6-((4-(AMinoMethyl)benzyl)oxy)-7H-purin-2-aMine 6-[[4-(Aminomethyl)phenyl]methoxy]-7H-purin-2-amine
    • FT-0661897
    • MFCD22577247
    • AMY20691
    • CS-W018562
    • AKOS028109098
    • 9H-Purin-2-amine, 6-[[4-(aminomethyl)phenyl]methoxy]-; 1H-Purin-2-amine, 6-[[4-(aminomethyl)phenyl]methoxy]- (9CI); 6-[[4-(Aminomethyl)phenyl]methoxy]-9H-purin-2-amine; O-[4-(Aminomethyl)benzyl]guanine
    • DA-03733
    • 6-{[4-(AMINOMETHYL)PHENYL]METHOXY}-7H-PURIN-2-AMINE
    • MDL: MFCD07367624
    • Inchi: 1S/C13H14N6O/c14-5-8-1-3-9(4-2-8)6-20-12-10-11(17-7-16-10)18-13(15)19-12/h1-4,7H,5-6,14H2,(H3,15,16,17,18,19)
    • InChI Key: UINSGVKWAFJDPI-UHFFFAOYSA-N
    • SMILES: O(C1=C2C(=NC(N)=N1)N=CN2)CC1C=CC(CN)=CC=1

Computed Properties

  • Exact Mass: 270.12300
  • Monoisotopic Mass: 270.12290909g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 309
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 116

Experimental Properties

  • Color/Form: No data available
  • Density: 1.433±0.06 g/cm3 (20 oC 760 Torr)
  • Melting Point: >240°C(dec.)
  • Boiling Point: 669.9±65.0 °C at 760 mmHg
  • Flash Point: 359.0±34.3 °C
  • Refractive Index: 1.748
  • PSA: 115.73000
  • LogP: 2.25430

6-[[4-(aminomethyl)phenyl]methoxy]-9H-purin-2-amine Security Information

6-[[4-(aminomethyl)phenyl]methoxy]-9H-purin-2-amine Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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6-[[4-(aminomethyl)phenyl]methoxy]-9H-purin-2-amine Production Method

Additional information on 6-[[4-(aminomethyl)phenyl]methoxy]-9H-purin-2-amine

6-[[4-(Aminomethyl)phenyl]methoxy]-9H-purin-2-amine (CAS No: 674799-96-3)

6-[[4-(Aminomethyl)phenyl]methoxy]-9H-purin-2-amine, a compound with the CAS registry number 674799-96-3, is a structurally complex organic molecule belonging to the purine class of heterocyclic compounds. This compound has garnered significant attention in recent years due to its potential applications in drug discovery and development. The molecule's unique structure, which includes a purine ring system substituted with a methoxy group attached to a 4-(aminomethyl)phenyl group, makes it a promising candidate for various biological studies.

The purine backbone of this compound is a well-known scaffold in medicinal chemistry, as it forms the structural basis for numerous bioactive molecules, including nucleoside analogs and kinase inhibitors. The substitution pattern of this compound, particularly the presence of the methoxy group and the 4-(aminomethyl)phenyl moiety, introduces additional functional groups that can potentially enhance its pharmacological properties. Recent studies have explored the role of such substitutions in modulating the compound's bioavailability, selectivity, and efficacy.

One of the most exciting developments involving 6-[[4-(Aminomethyl)phenyl]methoxy]-9H-purin-2-amine is its potential as an antitumor agent. Researchers have investigated its ability to inhibit key enzymes involved in cancer cell proliferation and survival. For instance, studies have shown that this compound can selectively target oncogenic kinases, which are often overexpressed in various types of cancers. These findings suggest that 674799-96-3 could serve as a lead compound for the development of novel anticancer therapies.

In addition to its antitumor activity, this compound has also been studied for its potential anti-inflammatory properties. The presence of the amino group in the 4-(aminomethyl)phenyl moiety allows for hydrogen bonding interactions, which may contribute to its ability to modulate inflammatory pathways. Recent experiments have demonstrated that 674799-96-3 can inhibit the production of pro-inflammatory cytokines in vitro, making it a candidate for treating inflammatory diseases such as arthritis and inflammatory bowel disease.

The synthesis and characterization of 6-[[4-(Aminomethyl)phenyl]methoxy]-9H-purin-2-amine have also been subjects of extensive research. Chemists have developed efficient synthetic routes to prepare this compound, often employing multi-step reactions involving nucleophilic substitutions and coupling reactions. These methods not only ensure high yields but also allow for fine-tuning the substituents on the purine ring, enabling further optimization of the compound's pharmacokinetic properties.

From an analytical standpoint, modern techniques such as high-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy have been instrumental in confirming the structure and purity of CAS No: 674799-96-3. These analytical tools provide critical insights into the molecular integrity and stereochemistry of the compound, ensuring its suitability for biological testing.

Looking ahead, the future of 6-[[4-(Aminomethyl)phenyl]methoxy]-9H-purin-2-amie lies in its continued exploration as a therapeutic agent. Collaborative efforts between academia and industry are expected to accelerate its progression from preclinical studies to clinical trials. As researchers delve deeper into its mechanism of action and optimize its pharmacokinetic profile, this compound has the potential to emerge as a valuable addition to the arsenal of modern medicine.

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