27-Deoxyactein - ≥98% , CAS No.264624-38-6

CAS: 264624-38-6 Cat. No.: D331477 Peso molecular: 660.84 Número EC: 607-941-1 PubChem CID: 10974362

GRADE & PURITY ≥98%

Synonyms

UNII-2D5AUV13AX | PD088460 | F82192 | SCHEMBL564106 | .BETA.-D-XYLOPYRANOSIDE, (3.BETA.,12.BETA.,16.BETA.,23S,24R,25R)-12-(ACETYLOXY)-16,23:23,26:24,25-TRIEPOXY-9,19-CYCLOLANOSTAN-3-YL | 2D5AUV13AX | 26-Deoxyactein | 26-deoxy-actein | Q27138580 | DTXSID20

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

27-Deoxyactein has shown stimulation of osteoblast function and inhibits bone resorbing mediators in the treatment of osteoporosis. It is a derivative of Actein , a gamma secretase modulators derived from botanicals.

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets have been developed and issued under the Authority of the issuing Pharmacopoeia.

Specifications

Sinónimos

UNII-2D5AUV13AX | PD088460 | F82192 | SCHEMBL564106 | .BETA.-D-XYLOPYRANOSIDE, (3.BETA., 12.BETA., 16.BETA., 23S, 24R, 25R)-12-(ACETYLOXY)-16, 23:23, 26:24, 25-TRIEPOXY-9, 19-CYCLOLANOSTAN-3-YL | 2D5AUV13AX | 26-Deoxyactein | 26-deoxy-actein | Q27138580 | DTXSID20

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

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

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1CC2(C3C(O3)(CO2)C)OC4C1C5(C(CC67CC68CCC(C(C8CCC7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)C
• IUPAC Name: [(1R,1'R,3'R,4S,4'R,5R,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate
• InChIKey: GCMGJWLOGKSUGX-RBKCHLQLSA-N
• INCHI: 1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37+/m1/s1
• Isómeros SMILES: C[C@@H]1C[C@@]2([C@H]3[C@](O3)(CO2)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C([C@@H]8CC[C@H]7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C
• PubChem CID: 10974362
• Peso molecular: 660.84

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Steroids and steroid derivatives
      • Subclass Cycloartanols and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Cycloartanols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Cycloartanols and derivatives
• Alternative Parents: Triterpenoids Steroid esters O-glycosyl compounds Ketals 1,4-dioxanes Oxanes Monosaccharides Tetrahydrofurans Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Epoxides Hydrocarbon derivatives Organic oxides Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Cycloartanol-skeleton - 9b,19-cyclo-lanostane-skeleton - Cycloartane-skeleton - Triterpenoid - Steroid ester - Glycosyl compound - O-glycosyl compound - Ketal - Para-dioxane - Monosaccharide - Oxane - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Acetal - Monocarboxylic acid or derivatives - Oxacycle - Ether - Oxirane - Dialkyl ether - Polyol - Carboxylic acid derivative - Alcohol - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cycloartanols and derivatives. These are steroids containing a cycloartanol moiety.
• External Descriptors: triterpenoid

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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: Light sensitive
• Índice de refracción: n20D~1.60 (Predicted)
• Punto de fusión (°C): 245-260° C
• Peso molecular: 660.800 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 660.387 Da
• Monoisotopic Mass: 660.387 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 1360.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 18
• 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