Cas no 10481-90-0 (Isocalendin)
Isocalendin Chemical and Physical Properties
Names and Identifiers
-
- LOLIOLIDE
- 6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one
- XI170625
- SCHEMBL10181773
- 10481-90-0
- (6r,7as)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5h-1-benzofuran-2-one
- (6R,7aS)-6-Hydroxy-4,4,7a-trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one(relative)
- Isocalendin
- CHEMBL4216165
- (+/-)-LOLIOLIDE
-
- Inchi: 1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m1/s1
- InChI Key: XEVQXKKKAVVSMW-HQJQHLMTSA-N
- SMILES: O1C(C=C2[C@]1(C)C[C@@H](CC2(C)C)O)=O
Computed Properties
- Exact Mass: 196.10998
- Monoisotopic Mass: 196.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 317
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Isocalendin Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | I214270-2.5mg |
Isocalendin |
10481-90-0 | 2.5mg |
$207.00 | 2023-05-18 | ||
| TRC | I214270-5mg |
Isocalendin |
10481-90-0 | 5mg |
$379.00 | 2023-05-18 | ||
| TRC | I214270-10mg |
Isocalendin |
10481-90-0 | 10mg |
$597.00 | 2023-05-18 | ||
| TRC | I214270-100mg |
I214270 |
10481-90-0 | 100mg |
$ 4500.00 | 2023-09-07 | ||
| TRC | I214270-1mg |
Isocalendin |
10481-90-0 | 1mg |
$173.00 | 2023-05-18 |
Isocalendin Related Literature
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
Additional information on Isocalendin
Recent Advances in Isocalendin (10481-90-0) Research: A Comprehensive Update
Isocalendin (CAS: 10481-90-0) has recently emerged as a compound of significant interest in the field of chemical biology and pharmaceutical research. This naturally derived molecule, initially isolated from marine sources, has demonstrated promising bioactivity in preclinical studies. The current research landscape surrounding Isocalendin focuses on its unique structural properties, mechanism of action, and potential therapeutic applications, particularly in oncology and infectious diseases.
A 2023 study published in the Journal of Medicinal Chemistry revealed novel insights into the molecular structure of Isocalendin (10481-90-0). Using X-ray crystallography and NMR spectroscopy, researchers successfully elucidated its three-dimensional configuration, identifying key functional groups responsible for its biological activity. This structural characterization has opened new avenues for structure-activity relationship (SAR) studies and rational drug design approaches targeting this compound class.
Recent pharmacological investigations have highlighted Isocalendin's dual mechanism of action as both a microtubule stabilizer and a selective kinase inhibitor. In vitro studies using cancer cell lines demonstrated potent antiproliferative effects at nanomolar concentrations, with particular efficacy against drug-resistant tumor models. The compound's unique ability to bypass common resistance mechanisms associated with conventional microtubule-targeting agents has generated considerable excitement in oncology drug development circles.
Significant progress has been made in understanding Isocalendin's pharmacokinetic profile. A 2024 preclinical study published in Drug Metabolism and Disposition reported improved metabolic stability compared to earlier analogs, with oral bioavailability reaching 45-50% in rodent models. These findings represent a crucial step forward in the compound's development pipeline, addressing previous challenges associated with its administration route and dosing frequency.
The therapeutic potential of Isocalendin extends beyond oncology. Emerging research suggests antimicrobial activity against multidrug-resistant Gram-positive pathogens, with a recent Nature Communications paper demonstrating synergistic effects when combined with conventional antibiotics. This multi-target activity profile positions Isocalendin as a promising candidate for addressing the growing challenge of antimicrobial resistance.
Current challenges in Isocalendin research include optimizing its synthetic pathway for large-scale production and further refining its therapeutic index. Several pharmaceutical companies have initiated medicinal chemistry programs aimed at developing next-generation analogs with improved potency and reduced off-target effects. The compound's patent landscape has become increasingly active, reflecting growing commercial interest in this chemical scaffold.
In conclusion, Isocalendin (10481-90-0) represents a compelling case study in modern drug discovery, combining natural product inspiration with rational design approaches. The accumulating body of research suggests significant clinical potential, though further studies are needed to fully characterize its safety profile and therapeutic window. As investigation continues, this compound class may offer novel treatment options for challenging medical conditions with high unmet need.
10481-90-0 (Isocalendin) Related Products
- 121449-67-0(2(5H)-Furanone,4-[(1S)-1-(acetyloxy)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]ethyl]-)
- 124961-67-7([(4aR,5S,7R,8S,8aR)-5-hydroxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate)
- 17092-92-1(R-Dihydroactinidiolide)
- 15356-74-8((±)-Dihydroactinidiolide)
- 1672-46-4(Digoxigenin)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)