Cas no 944901-71-7 (4-Chloro-2-methyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine)
4-Chloro-2-methyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4-Chloro-2-methyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine
- 4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
- 4-CHLORO-2-METHYL-5H,6H,7H,8H-PYRIDO[4,3-D]PYRIMIDINE
- 4-CHLORO-5,6,7,8-TETRAHYDRO-2-METHYLPYRIDO[4,3-D]PYRIMIDINE
- SCHEMBL12706725
- 944901-71-7
- AB59015
- C90578
- AKOS006304837
- CS-0077273
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- Inchi: 1S/C8H10ClN3/c1-5-11-7-2-3-10-4-6(7)8(9)12-5/h10H,2-4H2,1H3
- InChI Key: KNVJTXIDCPJNRZ-UHFFFAOYSA-N
- SMILES: ClC1C2CNCCC=2N=C(C)N=1
Computed Properties
- Exact Mass: 183.05600
- Monoisotopic Mass: 183.0563250g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 164
- 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: 1
- Topological Polar Surface Area: 37.8?2
Experimental Properties
- PSA: 37.81000
- LogP: 1.41290
4-Chloro-2-methyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
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%
4-Chloro-2-methyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM338010-1g |
4-Chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
944901-71-7 | 95%+ | 1g |
$2474 | 2021-08-18 | |
| Chemenu | CM338010-1g |
4-Chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
944901-71-7 | 95%+ | 1g |
$1632 | 2024-07-19 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1147913-1g |
4-Chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
944901-71-7 | 98% | 1g |
¥12726.00 | 2024-04-24 |
4-Chloro-2-methyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
Additional information on 4-Chloro-2-methyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine
Research Brief on 4-Chloro-2-methyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine (CAS: 944901-71-7)
In recent years, the compound 4-Chloro-2-methyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine (CAS: 944901-71-7) has garnered significant attention in the field of chemical biology and medicinal chemistry. This heterocyclic scaffold is recognized for its potential as a key intermediate in the synthesis of biologically active molecules, particularly in the development of kinase inhibitors and other therapeutic agents. The unique structural features of this compound, including its fused pyridine-pyrimidine ring system, make it a versatile building block for drug discovery.
Recent studies have focused on optimizing the synthetic routes for 4-Chloro-2-methyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine to improve yield and purity. A 2023 publication in the Journal of Medicinal Chemistry reported a novel catalytic method that significantly reduces reaction times while maintaining high selectivity. This advancement is critical for scaling up production to meet the demands of preclinical and clinical studies. Additionally, the compound's role as a precursor in the synthesis of PI3K and mTOR inhibitors has been highlighted, underscoring its relevance in oncology research.
Pharmacological evaluations of derivatives based on this scaffold have demonstrated promising activity against various cancer cell lines. For instance, a study published in Bioorganic & Medicinal Chemistry Letters (2024) revealed that certain analogs exhibit potent inhibitory effects on tumor growth in vitro and in vivo, with IC50 values in the nanomolar range. These findings suggest that 4-Chloro-2-methyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine derivatives could serve as lead compounds for further development in targeted cancer therapies.
Beyond oncology, researchers are exploring the application of this compound in neurodegenerative diseases. A recent preprint on bioRxiv (2024) described its potential as a modulator of protein-protein interactions involved in Alzheimer's disease. The study utilized computational docking and molecular dynamics simulations to predict binding affinities, followed by experimental validation using biochemical assays. While preliminary, these results open new avenues for repurposing this scaffold in CNS drug discovery.
In conclusion, 4-Chloro-2-methyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine (CAS: 944901-71-7) continues to be a molecule of high interest in medicinal chemistry. Its versatility as a synthetic intermediate and its promising biological activities make it a valuable asset for drug discovery programs. Future research should focus on expanding its therapeutic applications and addressing any synthetic or pharmacological challenges to facilitate its transition into clinical development.
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