Cas no 213764-92-2 ((S)-3-(Azetidin-2-ylmethoxy)-5-iodopyridine dihydrochloride)

(S)-3-(Azetidin-2-ylmethoxy)-5-iodopyridine dihydrochloride structure
213764-92-2 structure
Product Name:(S)-3-(Azetidin-2-ylmethoxy)-5-iodopyridine dihydrochloride
CAS No:213764-92-2
MF:C9H13Cl2IN2O
MW:363.022792577744
MDL:MFCD03791315
CID:254330
PubChem ID:54758463
Update Time:2025-10-30

(S)-3-(Azetidin-2-ylmethoxy)-5-iodopyridine dihydrochloride Chemical and Physical Properties

Names and Identifiers

    • (S)-3-(Azetidin-2-ylmethoxy)-5-iodopyridine dihydrochloride
    • (S)-5-IODO-3-[(2-AZETIDINYL)-METHOXY]PYRIDINE
    • 5-IODO A-85380
    • 5-IODO-A-85380 DIHYDROCHLORIDE
    • 5-Iodo-A-85380 dihydrochloride,3-[(2S)-2-Azetidinylmethoxy]-5-iodopyridinedihydrochloride
    • IAP TFA
    • IAP TRIFLUOROACETATE
    • SR-01000597948-1
    • CS-0029188
    • 1217837-17-6
    • 213764-92-2
    • 3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine;dihydrochloride
    • PD021825
    • SR-01000597948
    • 3-[(2S)-2-AZETIDINYLMETHOXY]-5-IODOPYRIDINE DIHYDROCHLORIDE
    • AKOS016009614
    • HY-107686
    • 5-Iodo-A-85380 (dihydrochloride)
    • DA-70224
    • 3-[(2S)-2-azetidinylmethoxy]-5-iodopyridine Hydrochloride;
    • MDL: MFCD03791315
    • Inchi: 1S/C9H11IN2O.2ClH/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8;;/h3-5,8,12H,1-2,6H2;2*1H/t8-;;/m0../s1
    • InChI Key: ZJVVFYWEBSHGBV-JZGIKJSDSA-N
    • SMILES: IC1=CN=CC(=C1)OC[C@@H]1CCN1.Cl.Cl

Computed Properties

  • Exact Mass: 361.94500
  • Monoisotopic Mass: 361.945
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 168
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 34.2A^2

Experimental Properties

  • Boiling Point: 425.2oC at 760 mmHg
  • Flash Point: 210.9oC
  • PSA: 34.15000
  • LogP: 3.35970

(S)-3-(Azetidin-2-ylmethoxy)-5-iodopyridine dihydrochloride 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%

(S)-3-(Azetidin-2-ylmethoxy)-5-iodopyridine dihydrochloride Pricemore >>

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Additional information on (S)-3-(Azetidin-2-ylmethoxy)-5-iodopyridine dihydrochloride

Introduction to (S)-3-(Azetidin-2-ylmethoxy)-5-iodopyridine Dihydrochloride (CAS No. 213764-92-2)

The compound (S)-3-(Azetidin-2-ylmethoxy)-5-iodopyridine dihydrochloride (CAS No. 213764-92-2) is a highly specialized organic molecule with significant potential in the fields of medicinal chemistry and pharmacology. This compound belongs to the class of pyridine derivatives, which are widely studied for their diverse biological activities. The azetidinyl group attached to the pyridine ring introduces unique structural features that enhance its pharmacokinetic properties, making it a promising candidate for drug development.

Recent advancements in synthetic chemistry have enabled the efficient synthesis of this compound, leveraging cutting-edge methodologies such as enantioselective catalysis and microwave-assisted reactions. These techniques not only improve the yield but also ensure high enantiomeric purity, which is critical for its application in chiral environments. The 5-iodo substitution on the pyridine ring further modulates its electronic properties, enhancing its ability to interact with biological targets such as receptors and enzymes.

One of the most intriguing aspects of (S)-3-(Azetidin-2-ylmethoxy)-5-iodopyridine dihydrochloride is its role in drug discovery programs targeting neurodegenerative diseases. Preclinical studies have demonstrated its potential as a modulator of key signaling pathways involved in Alzheimer's disease and Parkinson's disease. The compound's ability to cross the blood-brain barrier (BBB) efficiently has been validated through in vivo experiments, highlighting its suitability for central nervous system (CNS) applications.

In addition to its therapeutic potential, this compound has garnered attention for its use in chemical biology research. Its structure serves as a valuable tool for studying ligand-receptor interactions and enzyme kinetics. Researchers have employed this compound in high-throughput screening assays to identify novel targets and validate therapeutic hypotheses.

The integration of computational chemistry techniques has further enhanced our understanding of (S)-3-(Azetidin-2-ylmethoxy)-5-iodopyridine dihydrochloride's molecular interactions. Molecular docking studies have revealed its binding affinities to various protein targets, providing insights into its mechanism of action. These findings have been corroborated by experimental data from cellular assays, reinforcing the compound's potential as a lead molecule in drug development.

From a manufacturing standpoint, the synthesis of this compound involves a multi-step process that requires precise control over reaction conditions. The use of chiral auxiliaries and protecting groups ensures the preservation of stereochemistry throughout the synthesis. Post-synthesis purification techniques, including chromatography and crystallization, are employed to achieve high purity levels suitable for pharmacological testing.

Looking ahead, ongoing research is focused on optimizing the bioavailability and efficacy of (S)-3-(Azetidin-2-ylmethoxy)-5-iodopyridine dihydrochloride. Efforts are underway to develop prodrug strategies that enhance its stability and reduce off-target effects. Additionally, collaborative studies with academic institutions aim to explore its potential in personalized medicine, where tailored therapeutic approaches are designed based on individual genetic profiles.

In conclusion, (S)-3-(Azetidin-2-ylmethoxy)-5-iodopyridine dihydrochloride (CAS No. 213764-92-2) stands at the forefront of chemical innovation, offering exciting possibilities for advancing medical treatments. Its unique structure, coupled with cutting-edge research methodologies, positions it as a key player in the development of novel therapeutics targeting complex diseases.

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