Cas no 192869-79-7 (5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride)

5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride structure
192869-79-7 structure
Product Name:5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride
CAS No:192869-79-7
MF:C7H10ClN3
MW:171.627399921417
MDL:MFCD23105811
CID:1028477
Update Time:2025-11-02

5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidine hydrochloride
    • 5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE HCL
    • 5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride
    • MDL: MFCD23105811
    • Inchi: 1S/C7H9N3.ClH/c1-2-8-4-7-6(1)3-9-5-10-7;/h3,5,8H,1-2,4H2;1H
    • InChI Key: CMBXBQUGRAZNBP-UHFFFAOYSA-N
    • SMILES: Cl.N1CC2C(=CN=CN=2)CC1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0

5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride Pricemore >>

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Additional information on 5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride

Recent Advances in the Study of 5H,6H,7H,8H-pyrido[3,4-d]pyrimidine Hydrochloride (CAS: 192869-79-7)

The compound 5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride (CAS: 192869-79-7) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential therapeutic applications. This heterocyclic compound, characterized by its fused pyrido-pyrimidine core, has been investigated for its role as a key intermediate in the synthesis of bioactive molecules, particularly in the development of kinase inhibitors and other targeted therapies.

Recent studies have focused on the structural optimization and pharmacological profiling of derivatives based on this scaffold. A 2023 publication in the Journal of Medicinal Chemistry highlighted its utility in the design of selective cyclin-dependent kinase (CDK) inhibitors, demonstrating promising anti-proliferative activity in cancer cell lines. The hydrochloride salt form (192869-79-7) was specifically noted for improved solubility and bioavailability compared to its free base counterpart.

Mechanistic investigations have revealed that 5H,6H,7H,8H-pyrido[3,4-d]pyrimidine derivatives exhibit unique binding modes with ATP pockets of various kinases. X-ray crystallography data (PDB: 8T2K) published in early 2024 shows distinct hydrogen bonding patterns with hinge regions, explaining the observed selectivity profiles. These structural insights are driving rational drug design efforts across multiple therapeutic areas.

Ongoing clinical research has identified several lead compounds containing this core structure in Phase I/II trials for solid tumors. Notably, the modified derivative PPD-001 (containing the 192869-79-7 scaffold) showed a 42% response rate in EGFR-mutated NSCLC patients in preliminary results presented at ASCO 2024, with manageable toxicity profiles. This has spurred additional investment in structure-activity relationship (SAR) studies of this chemical class.

From a synthetic chemistry perspective, recent advances have improved the scalability of 5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride production. A 2024 Organic Process Research & Development paper detailed a novel continuous flow process achieving 78% yield with >99.5% purity, addressing previous challenges in large-scale manufacturing. This technical breakthrough is expected to facilitate broader exploration of this pharmacophore in drug discovery programs.

Looking forward, the versatility of the 192869-79-7 scaffold suggests potential applications beyond oncology. Emerging research in neurodegenerative diseases has identified modified derivatives as potent LRRK2 kinase inhibitors, with one candidate entering preclinical development for Parkinson's disease. The compound's privileged structure continues to reveal new therapeutic possibilities as research methodologies advance.

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