Dihydrolanosterol - Moligand™, ≥95% , CAS No.79-62-9

CAS: 79-62-9 Cat. No.: D350029 Peso molecular: 428.73

GRADE & PURITY Moligand™, ≥95%

Synonyms

DTXSID101000181 | Lanost-8-en-3-ol # | 5alpha-Lanost-8-en-3 beta-ol | C05109 | 9H273A8B2X | Dihydrolanosterol | UNII-9H273A8B2X | 24-dihydrolanosterol | Lanost-8-en-3beta-ol | 3beta-Hydroxylanost-8-ene | MBZYKEVPFYHDOH-BQNIITSRSA-N | 24,25-Dihydrolanoster

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Descripción general

Dihydrolanosterol is a subtrate of CYP51 and a cholesterol biosynthesis inhibitor.

Specifications

Sinónimos

DTXSID101000181 | Lanost-8-en-3-ol # | 5alpha-Lanost-8-en-3 beta-ol | C05109 | 9H273A8B2X | Dihydrolanosterol | UNII-9H273A8B2X | 24-dihydrolanosterol | Lanost-8-en-3beta-ol | 3beta-Hydroxylanost-8-ene | MBZYKEVPFYHDOH-BQNIITSRSA-N | 24, 25-Dihydrolanoster

Especificaciones y pureza

Moligand™, ≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504758733
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758733
• Sonrisas canónicas: CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C
• IUPAC Name: (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
• InChIKey: MBZYKEVPFYHDOH-BQNIITSRSA-N
• INCHI: 1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
• Isómeros SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
• Peso molecular: 428.73
• Reaxy-Rn: 45962208
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45962208&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: 3-beta-hydroxysteroids 14-alpha-methylsteroids Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - 14-alpha-methylsteroid - 3-beta-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - Steroid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: Cholesterol and 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

Objetivos asociados (humanos)

HMGCR Tclin HMG-CoA reductase (2475 Activities)

Discover Target: HMGCR

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

Objetivos asociados (no humanos)

Srebf1 Sterol regulatory element-binding protein 1 (3 Activities)

Discover Target: Srebf1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in chloroform (slightly), and ethyl acetate (slightly, heated).
• Punto de ebullición (°C): 454.33° C (Predicted)
• Punto de fusión (°C): 190.97° C
• Peso molecular: 428.700 g/mol
• XLogP3: 9.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 428.402 Da
• Monoisotopic Mass: 428.402 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 716.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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