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Cyasterone - 10mM in DMSO, high purity , CAS No.17086-76-9
EGFR/ErbB1 Selective Inhibitors | Activators
Basic Description
Synonyms
Cyasterone | Cyasteron | 17086-76-9 | CHEBI:29012 | (3S,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one | (2
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Cyasterone is the main phytoecdysteroid component found in Cyathula capitata. It is a natural EGFR inhibitor and maybe a promising anti-cancer agent.
Storage Temp
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
Information
Cyasterone is the main phytoecdysteroid component found inCyathula capitata. It is a natural EGFR inhibitor and maybe a promising anti-cancer agent.
Targets
EGFR
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Triterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Triterpenoids
Alternative Parents
Cholesterols and derivatives Pentahydroxy bile acids, alcohols and derivatives Ecdysteroids Steroid lactones 3-beta-hydroxysteroids 3-hydroxy delta-7-steroids 6-oxosteroids 14-hydroxysteroids Delta-7-steroids Cyclohexenones Gamma butyrolactones Tetrahydrofurans Tertiary alcohols Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Polyols Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Pentahydroxy bile acid, alcohol, or derivatives - Cholesterol-skeleton - Cholestane-skeleton - Ecdysteroid - Hydroxy bile acid, alcohol, or derivatives - Steroid lactone - Bile acid, alcohol, or derivatives - 22-hydroxysteroid - 20-hydroxysteroid - 3-beta-hydroxysteroid - 6-oxosteroid - 2-hydroxysteroid - 14-hydroxysteroid - 3-hydroxysteroid - Hydroxysteroid - Oxosteroid - 3-hydroxy-delta-7-steroid - Delta-7-steroid - Steroid - Cyclohexenone - Gamma butyrolactone - Tertiary alcohol - Tetrahydrofuran - Cyclic alcohol - Lactone - Ketone - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
External Descriptors
Stigmasterols and C24-ethyl 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.
Associated Targets(non-human)
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,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one
INCHI
InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1
InChIKey
NEFYSBQJYCICOG-YSEUJXISSA-N
Smiles
CC1C(C(OC1=O)C)CC(C(C)(C2CCC3(C2(CCC4C3=CC(=O)C5C4(CC(C(C5)O)O)C)C)O)O)O
Isomeric SMILES
C[C@H]1[C@@H]([C@H](OC1=O)C)C[C@H]([C@@](C)([C@H]2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)O)O
RTECS
WJ2510000
PubChem CID
119444
Molecular Weight
520.65
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
520.700 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
4
Exact Mass
520.304 Da
Monoisotopic Mass
520.304 Da
Topological Polar Surface Area
145.000 Ų
Heavy Atom Count
37
Formal Charge
0
Complexity
1010.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
13
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
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