Cas no 858955-38-1 (6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid)
6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
- 4-Pyrimidinecarboxylicacid, 6-amino-5-chloro-2-(4-chlorophenyl)-
- I14-8653
- QC-9587
- 6-AMINO-5-CHLORO-2-(4-CHLORO-PHENYL)-PYRIMIDINE-4-CARBOXYLIC ACID
- 6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid ,95%
- 4-Pyrimidinecarboxylic acid, 6-amino-5-chloro-2-(4-chlorophenyl)-
- 858955-38-1
- 6-amino-5-chloro-2-(4-chlorophenyl)-4-pyrimidinecarboxylic acid
- E70462
- AKOS015917709
- DA-19223
- SCHEMBL1535638
- SB58977
- 6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylicacid
- IFNGRCNEIXJJOA-UHFFFAOYSA-N
- DTXSID80676909
-
- Inchi: 1S/C11H7Cl2N3O2/c12-6-3-1-5(2-4-6)10-15-8(11(17)18)7(13)9(14)16-10/h1-4H,(H,17,18)(H2,14,15,16)
- InChI Key: IFNGRCNEIXJJOA-UHFFFAOYSA-N
- SMILES: C1(C2=CC=C(Cl)C=C2)=NC(N)=C(Cl)C(C(O)=O)=N1
Computed Properties
- Exact Mass: 282.99200
- Monoisotopic Mass: 282.992
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 311
- 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
- Topological Polar Surface Area: 89.1A^2
- XLogP3: 2.6
Experimental Properties
- PSA: 89.10000
- LogP: 3.31200
6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid Security Information
- Storage Condition:2-8°C
6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid Customs Data
- HS CODE:2933599090
- Customs Data:
China Customs Code:
2933599090Overview:
2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the 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:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM165036-1g |
6-amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid |
858955-38-1 | 95% | 1g |
$660 | 2021-08-05 | |
| Alichem | A089005063-1g |
6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid |
858955-38-1 | 95% | 1g |
$585.04 | 2023-08-31 | |
| Chemenu | CM165036-1g |
6-amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid |
858955-38-1 | 95% | 1g |
$644 | 2023-02-17 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1744136-1g |
6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid |
858955-38-1 | 98% | 1g |
¥4914.00 | 2024-07-28 | |
| Crysdot LLC | CD11043144-1g |
6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid |
858955-38-1 | 95+% | 1g |
$698 | 2024-07-18 |
6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
Additional information on 6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
Professional Introduction to Compound with CAS No. 858955-38-1 and Product Name: 6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
The compound with the CAS number 858955-38-1 and the product name 6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid represents a significant advancement in the field of pharmaceutical chemistry. This pyrimidine derivative has garnered considerable attention due to its unique structural properties and potential applications in medicinal chemistry. The compound's molecular structure, characterized by a pyrimidine core substituted with amino, chloro, and phenyl groups, positions it as a versatile scaffold for the development of novel therapeutic agents.
Recent research in the domain of heterocyclic chemistry has highlighted the importance of pyrimidine derivatives in drug discovery. Pyrimidines are fundamental motifs in many biologically active molecules, including nucleoside analogs that have been widely used in antiviral and anticancer therapies. The presence of multiple substituents in 6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid not only enhances its chemical diversity but also opens up possibilities for modulating its pharmacological profile through structural modifications.
One of the most compelling aspects of this compound is its potential as a precursor in the synthesis of more complex pharmacophores. The amino group at the 6-position and the carboxylic acid moiety at the 4-position provide reactive sites for further functionalization, enabling chemists to design molecules with tailored biological activities. For instance, coupling this compound with other heterocyclic structures or introducing additional functional groups could yield derivatives with enhanced binding affinity to target enzymes or receptors.
In the context of contemporary drug development, there is a growing emphasis on identifying compounds that exhibit dual or multi-target interactions. This approach has shown promise in overcoming limitations associated with traditional single-target drugs, such as drug resistance and off-target effects. The multifaceted nature of 6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid makes it an attractive candidate for exploring such strategies. Its ability to interact with multiple biological pathways could pave the way for the development of next-generation therapeutics that address complex diseases more effectively.
The chloro substituents at the 5- and 4'-positions contribute to the compound's electronic properties, influencing its reactivity and solubility characteristics. These features are particularly relevant when considering its potential use in medicinal chemistry, where physicochemical properties often dictate a molecule's pharmacokinetic behavior. By optimizing these substituents, researchers can fine-tune parameters such as lipophilicity, metabolic stability, and cell membrane permeability, which are critical for achieving desired therapeutic outcomes.
Advances in computational chemistry have further enhanced the utility of compounds like 6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid. Molecular modeling techniques allow scientists to predict how modifications to its structure will affect its biological activity without the need for extensive experimental screening. This high-throughput virtual screening approach has accelerated the discovery process significantly, enabling faster identification of lead compounds for further optimization.
Moreover, recent studies have demonstrated the importance of understanding scaffold diversity in drug discovery programs. Compounds that incorporate unique structural motifs can offer advantages over conventional agents by binding to targets in novel ways or evading existing resistance mechanisms. The pyrimidine scaffold of 6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid aligns well with this principle, as it provides a foundation for generating structurally diverse derivatives with distinct pharmacological profiles.
The potential applications of this compound extend beyond oncology and antiviral therapies. Researchers are exploring its utility in other therapeutic areas, such as inflammation and neurodegenerative diseases, where pyrimidine derivatives have shown promise. For example, analogs of this compound may exhibit inhibitory effects on enzymes involved in inflammatory pathways or interact with receptors implicated in neurodegeneration.
In conclusion, 6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid (CAS No. 858955-38-1) represents a valuable asset in modern pharmaceutical research. Its unique structural features and versatile reactivity make it a compelling scaffold for developing novel therapeutic agents. As our understanding of biological systems continues to evolve, compounds like this one will play an increasingly critical role in addressing unmet medical needs through innovative drug design strategies.
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