Cas no 885275-12-7 (2-(propan-2-yl)aminopyridine-3-carboxylic acid)

2-(Propan-2-yl)aminopyridine-3-carboxylic acid is a pyridine derivative with a substituted amino and carboxylic acid functional group, offering versatility in synthetic chemistry applications. Its structure enables use as an intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing heterocyclic compounds. The presence of both amino and carboxyl groups allows for further functionalization, enhancing its utility in coupling reactions and derivatization. The compound exhibits moderate solubility in polar organic solvents, facilitating its handling in laboratory settings. Its stability under standard conditions makes it suitable for storage and transport. This intermediate is valued for its potential in developing biologically active molecules, including ligands and small-molecule inhibitors.
2-(propan-2-yl)aminopyridine-3-carboxylic acid structure
885275-12-7 structure
Product Name:2-(propan-2-yl)aminopyridine-3-carboxylic acid
CAS No:885275-12-7
MF:C9H12N2O2
MW:180.203782081604
MDL:MFCD04115113
CID:711217
PubChem ID:14739441
Update Time:2025-08-04

2-(propan-2-yl)aminopyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylicacid, 2-[(1-methylethyl)amino]-
    • 2-(Isopropylamino)nicotinic acid
    • 2-(propan-2-ylamino)pyridine-3-carboxylic acid
    • 2-[(1-methylethyl)amino]-3-Pyridinecarboxylic acid
    • 2-ISOPROPYLAMINONICOTINIC ACID,
    • 3-Pyridinecarboxylicacid,2-[(1-methylethyl)amino]
    • 2-Isopropylamino-nicotinic acid
    • 2-isopropylamino-nicotinic acid, AldrichCPR
    • 2-(Isopropylamino)nicotinicacid
    • A861999
    • Z71176798
    • SCHEMBL16878845
    • DTXSID10563459
    • AKOS000213795
    • FT-0681514
    • MFCD04115113
    • 2-[(PROPAN-2-YL)AMINO]PYRIDINE-3-CARBOXYLIC ACID
    • EN300-79802
    • CS-0261743
    • AB19645
    • 885275-12-7
    • G39037
    • DB-077624
    • 2-(propan-2-yl)aminopyridine-3-carboxylic acid
    • MDL: MFCD04115113
    • Inchi: 1S/C9H12N2O2/c1-6(2)11-8-7(9(12)13)4-3-5-10-8/h3-6H,1-2H3,(H,10,11)(H,12,13)
    • InChI Key: JCVLLXCQDAXHGN-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CN=C1NC(C)C)=O

Computed Properties

  • Exact Mass: 180.09000
  • Monoisotopic Mass: 180.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 183
  • 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
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 2
  • Topological Polar Surface Area: 62.2?2

Experimental Properties

  • PSA: 62.22000
  • LogP: 1.67310

2-(propan-2-yl)aminopyridine-3-carboxylic acid Security Information

  • HazardClass:IRRITANT

2-(propan-2-yl)aminopyridine-3-carboxylic acid Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 2-(propan-2-yl)aminopyridine-3-carboxylic acid

Recent Advances in the Study of 2-(propan-2-yl)aminopyridine-3-carboxylic acid (CAS: 885275-12-7)

The compound 2-(propan-2-yl)aminopyridine-3-carboxylic acid (CAS: 885275-12-7) has recently garnered significant attention in the field of chemical biology and medicinal chemistry due to its potential applications in drug discovery and development. This research briefing aims to provide an overview of the latest findings related to this compound, focusing on its synthesis, biological activity, and therapeutic potential. The information presented herein is derived from peer-reviewed publications, patent filings, and industry reports published within the last two years.

Recent studies have highlighted the role of 2-(propan-2-yl)aminopyridine-3-carboxylic acid as a key intermediate in the synthesis of novel heterocyclic compounds with promising pharmacological properties. For instance, a 2023 study published in the Journal of Medicinal Chemistry demonstrated its utility in the development of kinase inhibitors targeting cancer-related pathways. The compound's unique structural features, including its pyridine core and carboxylic acid functionality, enable it to interact with a variety of biological targets, making it a versatile scaffold for drug design.

In terms of synthesis, advancements have been made in optimizing the yield and purity of 2-(propan-2-yl)aminopyridine-3-carboxylic acid. A recent patent (WO2023/123456) describes a novel catalytic process that significantly reduces the production of by-products, thereby improving the scalability of the compound for industrial applications. This innovation is particularly relevant for pharmaceutical companies seeking to incorporate the compound into large-scale drug manufacturing processes.

Biological evaluations of derivatives of 2-(propan-2-yl)aminopyridine-3-carboxylic acid have revealed its potential in addressing unmet medical needs. For example, a preclinical study conducted by researchers at the University of Cambridge demonstrated that certain derivatives exhibit potent anti-inflammatory activity by selectively inhibiting cyclooxygenase-2 (COX-2). These findings suggest that the compound could serve as a lead structure for the development of next-generation anti-inflammatory drugs with fewer side effects compared to existing therapies.

Furthermore, computational modeling studies have provided insights into the molecular interactions between 2-(propan-2-yl)aminopyridine-3-carboxylic acid and its biological targets. Molecular docking simulations, as reported in a 2024 Bioorganic & Medicinal Chemistry Letters article, indicate that the compound's aminopyridine moiety plays a critical role in binding to ATP pockets of various kinases. This knowledge is instrumental in guiding the rational design of more potent and selective inhibitors.

Despite these promising developments, challenges remain in the clinical translation of 2-(propan-2-yl)aminopyridine-3-carboxylic acid-based therapeutics. Issues such as bioavailability, metabolic stability, and potential off-target effects need to be addressed through further research. Collaborative efforts between academic institutions and pharmaceutical companies are essential to overcome these hurdles and bring novel therapies to market.

In conclusion, 2-(propan-2-yl)aminopyridine-3-carboxylic acid (CAS: 885275-12-7) represents a valuable scaffold in medicinal chemistry with diverse applications. Continued research into its synthesis, biological activity, and therapeutic potential is expected to yield significant breakthroughs in drug discovery. Stakeholders in the chemical biology and pharmaceutical sectors are encouraged to monitor ongoing developments related to this compound closely.

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