Cas no 32980-71-5 (2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine)
2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine Chemical and Physical Properties
Names and Identifiers
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- Perchloropyrimido[5,4-d]pyrimidine
- tetrachloropyrimido[5,4-d]pyrimidine
- 2,4,6,8-Tetrachloro-1,3,5,7-tetraazanaphthalene
- Nsc96654
- Pyrimido[5,4-D]pyrimidine, 2,4,6,8-tetrachloro-
- Pyrimido[5,4-D]pyrimidine, tetrachloro-
- 2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine
- 2,4,6,8-Tetrachlorop
- Tetrachloropyrimido(5,4-d)pyrimidine
- 2,3-DIHYDRO-5-METHYL-3-OXO-2-PHENYL-1H-PYRAZOLE-4-CARBOXALDEHYDE
- 2,4,6,8-tetra-chloropyrimido<5,4-d>pyrimidine
- 2,4,6,8-tetrachloropyrimido<-pyrimidine
- Tetrachloropyrimido<pyrimidin
- NSC 96654
- 2,4,6,8-tetrachloropyrimidopyrimidine
- EINECS 251-318-3
- SCHEMBL1323446
- CS-0112925
- A852591
- NSC-96654
- AS-47214
- 32980-71-5
- NS00029397
- F12691
- 2,6,8-Tetrachloropyrimido[5,4-d]pyrimidine
- FT-0609827
- W-110829
- MFCD02093495
- AKOS016010385
- DTXSID20186618
- Pyrimido[5, 2,4,6,8-tetrachloro-
- 2,4,6,8-Tetrachloro-pyrimido[5,4-d]pyrimidine
- Pyrimido[5, tetrachloro-
- T1810
- tetrachloropyrimidopyrimidine
- CHEMBL363331
- SY051322
- Pyrimido[5,4-d]pyrimidine, 2,4,6,8-tetrachloro-; Pyrimido[5,4-d]pyrimidine, tetrachloro- (9CI); 2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine; NSC 96654; Tetrachloropyrimido[5,4-d]pyrimidine
- 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine
-
- MDL: MFCD02093495
- Inchi: 1S/C6Cl4N4/c7-3-1-2(12-6(10)13-3)4(8)14-5(9)11-1
- InChI Key: QNKFHUMDHRWWES-UHFFFAOYSA-N
- SMILES: ClC1C2C(=C(N=C(N=2)Cl)Cl)N=C(N=1)Cl
Computed Properties
- Exact Mass: 267.88800
- Monoisotopic Mass: 267.887707
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 196
- 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: nothing
- XLogP3: 3.8
- Topological Polar Surface Area: 51.6
Experimental Properties
- Color/Form: Needle or sheet crystals
- Density: 1.871±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 254-258 oC
- Boiling Point: 335.1 °C at 760 mmHg
- Flash Point: 186.8 °C
- Refractive Index: 1.704
- Solubility: Slightly soluble (2.3 g/l) (25 o C),
- PSA: 51.56000
- LogP: 3.03340
- Solubility: Not determined
2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine Security Information
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Symbol:
- Prompt:warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Category Code: 36/37/38
- Safety Instruction: S26; S36/37/39
- Risk Phrases:R36/37/38
2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | T291365-500mg |
2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine |
32980-71-5 | 500mg |
$ 241.00 | 2023-09-06 | ||
| TRC | T291365-1g |
2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine |
32980-71-5 | 1g |
$ 442.00 | 2023-09-06 | ||
| TRC | T291365-2g |
2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine |
32980-71-5 | 2g |
$ 845.00 | 2023-09-06 | ||
| TRC | T291365-5g |
2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine |
32980-71-5 | 5g |
$1711.00 | 2023-05-17 | ||
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | T1810-1G |
2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine |
32980-71-5 | >98.0%(GC)(N) | 1g |
¥1395.00 | 2024-04-16 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | T1810-5G |
2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine |
32980-71-5 | >98.0%(GC)(N) | 5g |
¥4150.00 | 2024-04-16 | |
| abcr | AB142040-1 g |
2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine, 97%; . |
32980-71-5 | 97% | 1g |
€159.70 | 2023-05-09 | |
| abcr | AB142040-5 g |
2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine, 97%; . |
32980-71-5 | 97% | 5g |
€555.80 | 2023-05-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1183565-1g |
Perchloropyrimido[5,4-d]pyrimidine |
32980-71-5 | 98% | 1g |
¥2136.00 | 2024-05-19 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1183565-5g |
Perchloropyrimido[5,4-d]pyrimidine |
32980-71-5 | 98% | 5g |
¥7030.00 | 2024-05-19 |
2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine Suppliers
2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine Related Literature
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1. Controlled stepwise conversion of 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine into 2,4,6,8-tetrasubstituted pyrimido[5,4-d]pyrimidinesJulian S. Northen,F. Thomas Boyle,William Clegg,Nicola J. Curtin,Andrew J. Edwards,Roger J. Griffin,Bernard T. Golding J. Chem. Soc. Perkin Trans. 1 2002 108
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Kristaps Le?kovskis,Anatoly Mishnev,Irina Novosjolova,Burkhard Krumm,Thomas M. Klap?tke,Māris Turks CrystEngComm 2023 25 3866
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3. Bicyclic 6 + 6 systems: the chemistry of pyrimido[4,5-d]pyrimidines and pyrimido[5,4-d]pyrimidinesM. Monier,Doaa Abdel-Latif,Ahmed El-Mekabaty,Khaled M. Elattar RSC Adv. 2019 9 30835
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4. Quantifying intermolecular interactions and their use in computational crystal structure predictionSarah (Sally) L. Price CrystEngComm 2004 6 344
Additional information on 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine
Chemical Profile of 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine (CAS No. 32980-71-5)
2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine, identified by the Chemical Abstracts Service registry number CAS No. 32980-71-5, is a heterocyclic organic compound that has garnered significant attention in the field of medicinal chemistry and pharmaceutical research. This compound belongs to the pyrimidine class of molecules, which are known for their structural versatility and biological activity. The presence of multiple chlorine atoms in its structure imparts unique electronic and steric properties, making it a valuable scaffold for designing novel therapeutic agents.
The molecular structure of 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine consists of two fused pyrimidine rings connected at the 5 and 4 positions, with four chlorine atoms substituting at the 2, 4, 6, and 8 positions. This specific arrangement creates a rigid aromatic system that can interact with biological targets in a highly specific manner. The chlorine atoms not only enhance the lipophilicity of the molecule but also serve as points for further functionalization, allowing chemists to tailor its properties for specific applications.
In recent years, 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine has been explored as a key intermediate in the synthesis of various pharmacologically active compounds. Its unique structural features make it an attractive candidate for developing inhibitors targeting enzymes involved in cancer metabolism and signal transduction pathways. Preliminary studies have demonstrated its potential in modulating kinases and other enzymes that play critical roles in tumor growth and progression.
One of the most compelling aspects of 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine is its ability to serve as a versatile building block for drug discovery. Researchers have leveraged its scaffold to develop analogs with enhanced binding affinity and selectivity for biological targets. For instance, modifications at the chlorine-substituted positions have led to derivatives that exhibit potent activity against certain types of cancer cells while maintaining low toxicity towards healthy tissues.
The synthesis of 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine typically involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies have been employed to improve yield and purity, ensuring that the final product meets the stringent requirements for pharmaceutical applications. Techniques such as palladium-catalyzed cross-coupling reactions and nucleophilic aromatic substitutions have been particularly effective in constructing the desired pyrimidine framework.
Recent advancements in computational chemistry have further enhanced the design and optimization of 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine derivatives. Molecular modeling studies have provided insights into how structural modifications influence binding interactions with biological targets. These insights have guided the development of more potent and selective inhibitors with improved pharmacokinetic profiles.
The potential therapeutic applications of 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine extend beyond oncology. Emerging research suggests that this compound may also have utility in treating inflammatory diseases and infectious disorders by targeting specific enzymes or receptors involved in these conditions. The ability to fine-tune its chemical properties makes it a promising candidate for addressing a wide range of diseases.
In conclusion,2,tetrachloropyrimido[5,d]pyrimidine (CAS No.p rimido[5,d]pyrimidine (CAS No.p rimido[5,d]pyrimidine (CAS No.p rimido[5,d]pyrimidine (CAS No.p rimido[5,d]pyrimidine (CAS No.p rimido[5,d]pyrimidine (CAS No.) 32980-71-5) represents a significant advancement in medicinal chemistry due to its unique structural features and biological activity. Ongoing research continues to uncover new ways to harness its potential for developing innovative therapeutic agents that address unmet medical needs.
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