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Obtusifoliol - ≥99.0%, high purity , CAS No.16910-32-0

    Grade & Purity:
  • ≥99%
In stock
Item Number
O650340
Grouped product items
SKU Size
Availability
Price Qty
O650340-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$760.90
O650340-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,290.90

Basic Description

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)- | CS-0111019 | (+)-OBTUSIFOLIOL | SCHEMBL2511101 | EECD77B7-C927-4E6E-B634-DEDFB042A6B9 | 4a,14a-dimethyl-5a-ergosta
Specifications & Purity ≥99%
Biochemical and Physiological Mechanisms 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.
Storage Temp Protected from light,Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class 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
Description 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

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

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
INCHI 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
InChIKey MMNYKQIDRZNIKT-VSADUBDNSA-N
Smiles CC1C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC4C(C)CCC(=C)C(C)C)C)C
Isomeric 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
Alternate CAS 16910-32-0
PubChem CID 65252
MeSH Entry Terms 4alpha,14alpha-dimethyl-5alpha-ergosta-8,24(28)-dien-3beta-ol;obtusifoliol
Molecular Weight 426.72

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 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

Solution Calculators

Reviews

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