Cas no 210108-88-6 (Jatrophane 4)
Jatrophane 4 Chemical and Physical Properties
Names and Identifiers
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- 2,5,9,14-Tetraacetoxy-3-benzoyloxy-8,15-dihydroxy-7-isobutyroyloxyjatropha-6(17),11E-diene
- Jatrophane 4
- 2,5,9,14-TETRAACETOXY-3-BENZOYLOXY-8,15-DIHYDROXY-7-ISOBUTYROYLOXYJATROPHA-6(17),11EDIENE
- 210108-88-6
- [(1R, 2R, 3aR, 4S, 5S, 6E, 9S, 10S, 11S, 13R, 13aS)-2, 4, 9, 13-tetraacetyloxy-3a, 10-dihydroxy-2, 5, 8, 8-tetramethyl-12-methylidene-11-(2-methylpropanoyloxy)-3, 4, 5, 9, 10, 11, 13, 13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
- DTXSID901098138
- [(1R,2R,3aR,4S,5S,6E,9S,10S,11S,13R,13aS)-2,4,9,13-tetraacetyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropanoyloxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
- (2R,3R,3aS,4R,6S,7S,8S,10E,12S,13S,13aR)-2,4,8,13-Tetrakis(acetyloxy)-3-(benzoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-7,13a-dihydroxy-2,9,9,12-tetramethyl-5-methylene-1H-cyclopentacyclododecen-6-yl 2-methylpropanoate
- AKOS040760991
-
- Inchi: InChI=1S/C39H52O14/c1-20(2)35(45)51-31-22(4)30(48-23(5)40)28-33(52-36(46)27-15-13-12-14-16-27)38(11,53-26(8)43)19-39(28,47)32(49-24(6)41)21(3)17-18-37(9,10)34(29(31)44)50-25(7)42/h12-18,20-21,28-34,44,47H,4,19H2,1-3,5-11H3/b18-17+/t21-,28-,29+,30-,31-,32-,33+,34+,38+,39+/m0/s1
- InChI Key: WITHKWWZWFNDND-WZUBBBPASA-N
- SMILES: O=C(O[C@H]3\C(=C)[C@H](OC(=O)C(C)C)[C@@H](O)[C@@H](OC(=O)C)C(/C=C/[C@@H]([C@H](OC(=O)C)[C@]2(O)[C@@H]3[C@@H](OC(=O)c1ccccc1)[C@@](OC(=O)C)(C)C2)C)(C)C)C
Computed Properties
- Exact Mass: 744.33570633g/mol
- Monoisotopic Mass: 744.33570633g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 53
- Rotatable Bond Count: 14
- Complexity: 1440
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 198?2
Experimental Properties
- Color/Form: Powder
- Density: 1.3±0.1 g/cm3
- Boiling Point: 736.3±60.0 °C at 760 mmHg
- Flash Point: 212.2±26.4 °C
- Vapor Pressure: 0.0±2.5 mmHg at 25°C
Jatrophane 4 Security Information
- 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:Store at 4 ℃, better at -4 ℃
Jatrophane 4 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | J20650-5mg |
(Z)-3-(benzoyloxy)-7,13a-dihydroxy-6-(isobutyryloxy)-2,9,9,12-tetramethyl-5-methylene-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulene-2,4,8,13-tetrayl tetraacetate |
210108-88-6 | 5mg |
¥6240.0 | 2022-04-27 | ||
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN2728-1 mg |
Jatrophane 4 |
210108-88-6 | 1mg |
¥3155.00 | 2022-04-26 | ||
| TargetMol Chemicals | TN2728-5 mg |
Jatrophane 4 |
210108-88-6 | 98% | 5mg |
¥ 4,420 | 2023-07-11 | |
| TargetMol Chemicals | TN2728-1 mL * 10 mM (in DMSO) |
Jatrophane 4 |
210108-88-6 | 98% | 1 mL * 10 mM (in DMSO) |
¥ 6720 | 2023-09-15 | |
| TargetMol Chemicals | TN2728-5mg |
Jatrophane 4 |
210108-88-6 | 5mg |
¥ 4420 | 2024-07-20 | ||
| A2B Chem LLC | AB19793-1mg |
Jatrophane 4 |
210108-88-6 | 95% | 1mg |
$699.00 | 2024-04-20 | |
| A2B Chem LLC | AB19793-5mg |
Jatrophane 4 |
210108-88-6 | 95.0% | 5mg |
$785.00 | 2024-04-20 | |
| TargetMol Chemicals | TN2728-1 ml * 10 mm |
Jatrophane 4 |
210108-88-6 | 1 ml * 10 mm |
¥ 6720 | 2024-07-20 |
Jatrophane 4 Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
Additional information on Jatrophane 4
Professional Introduction to Jatrophane 4 (CAS No. 210108-88-6)
Jatrophane 4, a compound with the chemical identifier CAS No. 210108-88-6, has garnered significant attention in the field of chemobiology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This compound, belonging to the jatrophane class of diterpenes, is derived from the leaves of the Jatropha species, which have been traditionally used in various medicinal practices across different cultures. The chemical structure of Jatrophane 4 features a complex framework of fused rings, including a cyclopentane and a decalin moiety, which contributes to its distinct biological activities.
Recent studies have highlighted the pharmacological significance of Jatrophane 4, particularly in its role as a potential modulator of cellular signaling pathways. Research has demonstrated that this compound exhibits inhibitory effects on several key enzymes and receptors involved in inflammation and cancer progression. For instance, studies have shown that Jatrophane 4 can selectively inhibit the activity of COX-2 (cyclooxygenase-2), an enzyme widely implicated in the pathogenesis of chronic inflammatory diseases. This inhibition is achieved through a mechanism that involves the direct binding of Jatrophane 4 to the active site of COX-2, thereby reducing the synthesis of pro-inflammatory prostaglandins.
In addition to its anti-inflammatory properties, Jatrophane 4 has shown promise in oncology research. Preclinical studies have indicated that this compound can induce apoptosis in various cancer cell lines by activating caspase-dependent pathways. The structural features of Jatrophane 4 allow it to interact with mitochondrial proteins, leading to the release of cytochrome c and subsequent activation of apoptotic cascades. These findings have prompted further investigation into the development of Jatrophane 4-based therapies for the treatment of solid tumors and hematological malignancies.
The biosynthetic pathway of Jatrophane 4 is another area of intense interest among researchers. Studies have revealed that the production of this diterpenoid is regulated by a series of enzymatic reactions involving terpene synthases, cyclases, and oxidases. Understanding these biosynthetic steps has not only provided insights into the metabolic capabilities of Jatropha species but also opened avenues for genetic engineering approaches aimed at enhancing the yield and diversity of diterpenoids. Advances in synthetic biology have enabled researchers to optimize plant-derived pathways, making it feasible to produce Jatrophane 4 and related compounds through microbial fermentation systems.
From a pharmacokinetic perspective, Jatrophane 4 exhibits moderate solubility in both water and lipids, which suggests its potential for oral administration as well as topical application. Preliminary pharmacokinetic studies in animal models have shown that this compound has a reasonable bioavailability and can reach target tissues at therapeutic concentrations within a few hours post-administration. However, challenges remain in terms of drug delivery and formulation stability, particularly when considering long-term therapeutic use. Researchers are exploring novel delivery systems, such as nanocarriers and lipid-based matrices, to improve the efficacy and bioavailability of Jatrophane 4.
The toxicological profile of Jatrophane 4 has also been carefully evaluated in recent years. Acute toxicity studies have indicated that this compound is relatively safe at moderate doses, with no significant signs of organ toxicity observed in animal models. However, chronic exposure studies are still limited, necessitating further research to fully assess its long-term safety profile. Additionally, investigations into potential side effects and drug interactions are crucial for ensuring that Jatrophane 4 can be safely integrated into clinical practice alongside other therapeutic agents.
The future directions for Jatrophane 4 research are multifaceted and promising. Ongoing studies are focused on elucidating its exact mechanism(s) of action across different biological systems, identifying new therapeutic targets, and developing derivatives with enhanced pharmacological properties. Collaborative efforts between academic institutions and pharmaceutical companies are likely to accelerate these endeavors, bringing us closer to harnessing the full potential of this remarkable natural product.
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