Muristerone A - ≥95% , CAS No.38778-30-2

CAS: 38778-30-2 Cat. No.: M274830 Molecular Weight: 496.63 PubChem CID: 122217

GRADE & PURITY ≥95%

Synonyms

C27H44O8 | DTXSID40959583 | HB3985 | 2,3,5,11,14,20,22-heptahydroxycholest-7-en-6-one | (2S,3R,5S,9R,10R,11R,13R,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl)-2,3,5,11,14-pentahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,13,14,15,16,17-dodecahydro-1H-

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

C27H44O8 | DTXSID40959583 | HB3985 | 2, 3, 5, 11, 14, 20, 22-heptahydroxycholest-7-en-6-one | (2S, 3R, 5S, 9R, 10R, 11R, 13R, 14S, 17S)-17-((2R, 3R)-2, 3-dihydroxy-6-methylheptan-2-yl)-2, 3, 5, 11, 14-pentahydroxy-10, 13-dimethyl-2, 3, 4, 5, 9, 11, 12, 13, 14, 15, 16, 17-dodecahydro-1H-

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Ecdysone receptor (EcR) agonist. Ecdysone analog. Potent ecdysone-inducible gene expression inducer. Stimulates Bcl-XL mRNA transcription. Inhibits TRAIL- and hFasL-induced apoptosis. Induces NGF release from fibroblasts.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)CCC(C(C)(C1CCC2(C1(CC(C3C2=CC(=O)C4(C3(CC(C(C4)O)O)C)O)O)C)O)O)O
• IUPAC Name: (2S,3R,5S,9R,10R,11R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,5,11,14-pentahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
• InChIKey: LRJUYAVTHIEHAI-LHBNDURVSA-N
• INCHI: 1S/C27H44O8/c1-14(2)6-7-20(31)25(5,33)19-8-9-26(34)15-10-21(32)27(35)13-17(29)16(28)11-24(27,4)22(15)18(30)12-23(19,26)3/h10,14,16-20,22,28-31,33-35H,6-9,11-13H2,1-5H3/t16-,17+,18+,19-,20+,22+,23+,24+,25+,26+,27+/m0/s1
• Isomeric SMILES: CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(C[C@H]([C@H]3C2=CC(=O)[C@]4([C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)O)C)O)O)O
• PubChem CID: 122217
• Molecular Weight: 496.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Bile acids, alcohols and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Bile acids, alcohols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxy bile acids, alcohols and derivatives
• Alternative Parents: Cholesterols and derivatives 6-oxosteroids 3-hydroxy delta-7-steroids 3-beta-hydroxysteroids 14-hydroxysteroids 11-alpha-hydroxysteroids Delta-7-steroids Cyclohexenones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Hexahydroxy bile acid, alcohol, or derivatives - Cholesterol - Cholesterol-skeleton - Cholestane-skeleton - Hydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - 20-hydroxysteroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 6-oxosteroid - 3-beta-hydroxysteroid - 2-hydroxysteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - Oxosteroid - 11-alpha-hydroxysteroid - 11-hydroxysteroid - Delta-7-steroid - Cyclohexenone - Cyclic alcohol - Tertiary alcohol - Ketone - Secondary alcohol - Polyol - Carbonyl group - Alcohol - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing at least hydroxyl group.
• External Descriptors: Not available

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

Associated Targets(non-human)

EcR Ecdysone receptor (102 Activities)

Discover Target: EcR

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO
• Molecular Weight: 496.600 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 496.304 Da
• Monoisotopic Mass: 496.304 Da
• Topological Polar Surface Area: 159.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 904.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 11
• 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