Cyasterone - 10mM in DMSO , CAS No.17086-76-9

CAS: 17086-76-9 Cat. No.: C422107 Formula: C₂₉H₄₄O₈ Peso molecolare: 520.65 Numero EC: 683-195-0 PubChem CID: 119444

GRADE & PURITY 10mM in DMSO

Synonyms

5-beta-Stigmast-7-en-26-oic acid, 2-beta,3-beta,14,20,22,28-hexahydroxy-6-oxo-, gamma-lactone, (22R,24S,25S,28R)- | 5beta-Stigmast-7-en-26-oic acid, 2beta,3beta,14,20,22,28-hexahydroxy-6-oxo-, gamma-lactone, (22R,24S,25S,28R)- | HY-N0211 | CHEBI:29012 | (

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

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

Specifications

Sinonimi

5-beta-Stigmast-7-en-26-oic acid, 2-beta,3-beta,14,20,22,28-hexahydroxy-6-oxo-, gamma-lactone, (22R,24S,25S,28R)- | 5beta-Stigmast-7-en-26-oic acid, 2beta,3beta,14,20,22,28-hexahydroxy-6-oxo-, gamma-lactone, (22R,24S,25S,28R)- | HY-N0211 | CHEBI:29012 | (

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Cyasterone is the main phytoecdysteroid component found in Cyathula capitata. It is a natural EGFR inhibitor and maybe a promising anti-cancer agent.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Pubchem Sid

528770296

Sorrisi canonici

CC1C(C(OC1=O)C)CC(C(C)(C2CCC3(C2(CCC4C3=CC(=O)C5C4(CC(C(C5)O)O)C)C)O)O)O

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

InChIKey

NEFYSBQJYCICOG-YSEUJXISSA-N

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

Isomeri 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

Peso molecolare

520.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrizione: 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.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (non umani)

EcR Ecdysone receptor (102 Activities)

Discover Target: EcR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 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