Cyasterone - ≥98% , CAS No.17086-76-9

CAS: 17086-76-9 Cat. No.: C414397 분자식: C₂₉H₄₄O₈ 분자량: 520.65 EC 번호: 683-195-0 PubChem CID: 119444

GRADE & PURITY ≥98%

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

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

개요

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

동의어

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 | (

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

488187604

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187604

정식 스마일

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

이성체 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

분자량

520.65

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 100 mg/mL (192.06 mM)
• 감도: Light sensitive
• 분자량: 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