Cas no 677762-57-1 (1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid)
1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
- 1-CYCLOPROPYL-6-OXO-1,6-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID
- 1-cyclopropyl-6-oxopyridine-3-carboxylic acid
- AT13796
- Z854062396
- 1-cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylicacid
- SB54667
- CCB76257
- EN300-268291
- 677762-57-1
- AKOS009159262
- DTXSID30619447
- CS-0243779
- SCHEMBL3160335
- DB-363545
-
- MDL: MFCD16041994
- Inchi: 1S/C9H9NO3/c11-8-4-1-6(9(12)13)5-10(8)7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)
- InChI Key: WTEIFYMIOHDHRC-UHFFFAOYSA-N
- SMILES: O=C1C=CC(C(=O)O)=CN1C1CC1
Computed Properties
- Exact Mass: 179.058243149g/mol
- Monoisotopic Mass: 179.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 326
- 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: 0.2
- Topological Polar Surface Area: 57.6?2
1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029191851-1g |
1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
677762-57-1 | 95% | 1g |
$497.70 | 2023-09-01 | |
| TRC | B427843-10mg |
1-cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
677762-57-1 | 10mg |
$ 58.00 | 2023-09-08 | ||
| TRC | B427843-50mg |
1-cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
677762-57-1 | 50mg |
$ 173.00 | 2023-09-08 | ||
| TRC | B427843-100mg |
1-cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
677762-57-1 | 100mg |
$ 247.00 | 2023-09-08 | ||
| Chemenu | CM172210-1g |
1-cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
677762-57-1 | 95% | 1g |
$549 | 2021-08-05 | |
| A2B Chem LLC | AH21331-2.5g |
1-Cyclopropyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid |
677762-57-1 | 95% | 2.5g |
$1124.00 | 2024-04-19 | |
| A2B Chem LLC | AH21331-5g |
1-Cyclopropyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid |
677762-57-1 | 95% | 5g |
$1646.00 | 2024-04-19 | |
| A2B Chem LLC | AH21331-10g |
1-Cyclopropyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid |
677762-57-1 | 95% | 10g |
$2424.00 | 2024-04-19 | |
| Chemenu | CM172210-1g |
1-cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
677762-57-1 | 95% | 1g |
$549 | 2023-02-16 | |
| Crysdot LLC | CD11073854-1g |
1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
677762-57-1 | 95+% | 1g |
$581 | 2024-07-18 |
1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
Additional information on 1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic Acid: A Comprehensive Overview
1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid (CAS No. 677762-57-1) is a compound of significant interest in the field of organic chemistry and pharmacology. This compound belongs to the class of dihydropyridines, which are well-known for their structural versatility and potential applications in drug discovery. The molecule features a cyclopropyl group attached to the dihydropyridine ring, along with a carboxylic acid moiety at the 3-position and a ketone group at the 6-position. These structural elements contribute to its unique chemical properties and biological activity.
Recent studies have highlighted the importance of dihydropyridine derivatives in various therapeutic areas, including cardiovascular diseases, neurodegenerative disorders, and cancer. The cyclopropyl substitution in this compound introduces steric hindrance and enhances the stability of the molecule, making it a promising candidate for further exploration. Researchers have also investigated the synthesis pathways of this compound, focusing on optimizing reaction conditions to achieve higher yields and purities.
The carboxylic acid group in 1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid plays a crucial role in its chemical reactivity. This functional group can undergo various transformations, such as esterification or amidation, to generate derivatives with enhanced bioavailability or target specificity. For instance, recent advancements in click chemistry have enabled the creation of bioconjugates that retain the core structure of this compound while improving its pharmacokinetic properties.
In terms of biological activity, this compound has shown potential as a modulator of ion channels, particularly voltage-gated calcium channels. Experimental data suggest that it may exert its effects through interactions with specific residues within the channel's transmembrane domains. Furthermore, computational modeling studies have provided insights into the molecular docking patterns of this compound, revealing key interactions that could be exploited for drug design.
The cyclopropyl group also imparts unique electronic properties to the molecule, influencing its ability to penetrate cellular membranes and interact with target proteins. Preclinical studies have demonstrated that this compound exhibits moderate cytotoxicity against certain cancer cell lines, suggesting its potential as an anticancer agent. However, further research is required to elucidate its mechanism of action and identify optimal dosing regimens.
From a synthetic perspective, the preparation of 1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid involves multi-step reactions that require precise control over reaction conditions. The use of transition metal catalysts has been explored to facilitate key transformations, such as cyclopropanation or oxidation steps. These advancements have not only improved synthetic efficiency but also opened avenues for scaling up production for preclinical testing.
Looking ahead, the development of this compound into a clinically relevant drug will depend on several factors, including its pharmacokinetic profile, safety profile, and efficacy in animal models. Collaborative efforts between academic researchers and pharmaceutical companies are essential to overcoming these challenges and translating laboratory findings into real-world applications.
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