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Brassicasterol

CAT: 0931-TN1450-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1450-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
474-67-9
Target
Androgen Receptor, Akt, HSV, Drug Metabolite, Antibacterial
Related Pathways
PI3K/Akt/mTOR signaling, Cytoskeletal Signaling, Metabolism, Microbiology/Virology, Endocrinology/Hormones
Purity
0.9858
Bioactivity
Brassicasterol, as a metabolite of ergosterol, exhibits cardiovascular protective properties. This compound demonstrates antitumor effects in prostate cancer through dual targeting of AKT and androgen receptor signaling pathways. Brassicasterol shows inhibitory activity against HSV-1 (IC50=1.2 μM) and Mycobacterium tuberculosis. By inhibiting sterol δ24-reductase, it delays atherosclerosis progression and has been identified as a cerebrospinal fluid biomarker for Alzheimer's disease.
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C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](O)CC4)(CC1)[H])[H])(CC[C@@]2([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H]
Molecular Formula
C28H46O
Molecular Weight
398.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Brassicasterol

Brassicasterol is an 3beta-sterol that is (22E)-ergosta-5,22-diene substituted by a hydroxy group at position 3beta. It is a phytosterol found in marine algae, fish, and rapeseed oil. It has a role as a biomarker, an animal metabolite, a marine metabolite, a plant metabolite, a human metabolite, an EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor, a sterol biosynthesis inhibitor and an algal metabolite. It is a 3beta-hydroxy-Delta(5)-steroid, a member of phytosterols, a 3beta-sterol and an ergostanoid.

CAS Number474-67-9
PubChem CID5281327
IUPAC Name(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC28H46O
Molecular Weight398.7
XLogP8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity659
SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
InChIKey
OILXMJHPFNGGTO-ZAUYPBDWSA-N
Chemical Structure
2D Structure
2D structure of Brassicasterol
CAS: 474-67-9
CID: 5281327
Formula: C28H46O
MW: 398.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.7
XLogP38
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass398.354866087
Monoisotopic Mass398.354866087
Topological Polar Surface Area20.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity659
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
RM-B711000-01Brassicasterol
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