Obtusifoliol - ≥99% , CAS No.16910-32-0

CAS: 16910-32-0 Cat. No.: O650340 分子式: C₃₀H₅₀O 分子量: 426.72 PubChem CID: 65252

GRADE & PURITY ≥99%

Synonyms

4.alpha.,14.alpha.-Dimethyl-5.alpha.-ergosta-8,24(28)-dien-3.beta.-ol | Ergosta-8,24(28)-dien-3-ol, 4,14-dimethyl-, (3beta,4alpha,5alpha)- | (+)-OBTUSIFOLIOL | SCHEMBL2511101 | EECD77B7-C927-4E6E-B634-DEDFB042A6B9 | 4a,14a-dimethyl-5a-ergosta-8,24(28)-die

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Obtusifoliol is a specific CYP51 inhibitor, Obtusifoliol shows the affinity with K d values of 1.2 µM and 1.4 µM for Trypanosoma brucei (TB) and human CYP51 , respectively

In Vitro

Obtusifoliol (0.1-100 µM; 48 hours) inhibit MCF-7 and MDA-MB231 breast cancer cells proliferation via arresting cell cycle progression and induction of apoptosis. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: MCF-7; MDA-MB231 breast cancer cells Concentration: 0.1, 1, 10, 40, 80, and 100 µM Incubation Time: 48 hours Result: Inhibited MCF-7 and MDA-MB231 breast cancer cells proliferation.

Form:Solid

IC50& Target:CYP51 Trypanosoma

Specifications

同義語

4.alpha.,14.alpha.-Dimethyl-5.alpha.-ergosta-8,24(28)-dien-3.beta.-ol | Ergosta-8,24(28)-dien-3-ol, 4,14-dimethyl-, (3beta,4alpha,5alpha)- | (+)-OBTUSIFOLIOL | SCHEMBL2511101 | EECD77B7-C927-4E6E-B634-DEDFB042A6B9 | 4a,14a-dimethyl-5a-ergosta-8,24(28)-die

仕様と純度

≥99%

生化学的・生理学的メカニズム

Obtusifoliol is a specific CYP51 inhibitor, Obtusifoliol shows the affinity with K d values of 1.2 µM and 1.4 µM for Trypanosoma brucei (TB) and human CYP51 , respectively.

保管条件

Protected from light,Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥99%

名前と識別子

• カノニカル・スマイル: CC1C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC4C(C)CCC(=C)C(C)C)C)C
• IUPAC Name: (3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
• InChIKey: MMNYKQIDRZNIKT-VSADUBDNSA-N
• INCHI: 1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h19,21-24,27,31H,3,9-18H2,1-2,4-8H3/t21-,22+,23-,24+,27+,28+,29-,30+/m1/s1
• 異性体SMILES: C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C)C
• 代替CAS番号: 16910-32-0
• PubChem CID: 65252
• MeSH用語: 4alpha,14alpha-dimethyl-5alpha-ergosta-8,24(28)-dien-3beta-ol;obtusifoliol
• 分子量: 426.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Steroids and steroid derivatives
      • Subclass Ergostane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Steroids and steroid derivatives
• Subclass: Ergostane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Ergosterols and derivatives
• Alternative Parents: 3-beta-hydroxysteroids 14-alpha-methylsteroids Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Ergosterol-skeleton - 14-alpha-methylsteroid - 3-beta-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton.
• External Descriptors: Ergosterols and C24-methyl derivatives

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

作用メカニズム

化学的性質と物理的性質

• 分子量: 426.700 g/mol
• XLogP3: 9.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 426.386 Da
• Monoisotopic Mass: 426.386 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 746.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 16910-32-0, the molecular formula is C30H50O, and the molecular weight is 426.72 g/mol. InChIKey MMNYKQIDRZNIKT-VSADUBDNSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.