Alisol B - ≥99% , CAS No.18649-93-9

CAS: 18649-93-9 Cat. No.: A414381 Peso molecular: 472.71

GRADE & PURITY ≥99%

Synonyms

AS-78340 | BDBM50097556 | Dammar-13(17)-en-3-one, 24,25-epoxy-11,23-dihydroxy-,(8a,9b,11b,14b,23S,24R)- | AlisolB | Alisol-B | Alisol B | s9276 | Q27155060 | HY-N0805A | AKOS016012095 | CCG-269471 | CHEBI:81104 | C17460 | MFCD24369682

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Alisol B Alisol B, a triterpene from Alismatis rhizoma, induces Bax up-regulation and nuclear translocation, the activation of initiator caspase-8 and caspase-9, and executor caspase-3, suggesting the involvement of both extrinsic and intrinsic apoptosis pathways.

Specifications

Sinónimos

AS-78340 | BDBM50097556 | Dammar-13(17)-en-3-one, 24, 25-epoxy-11, 23-dihydroxy-, (8a, 9b, 11b, 14b, 23S, 24R)- | AlisolB | Alisol-B | Alisol B | s9276 | Q27155060 | HY-N0805A | AKOS016012095 | CCG-269471 | CHEBI:81104 | C17460 | MFCD24369682

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Alisol B, a triterpene from Alismatis rhizoma, induces Bax up-regulation and nuclear translocation, the activation of initiator caspase-8 and caspase-9, and executor caspase-3, suggesting the involvement of both extrinsic and intrinsic apoptosis pathways.

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.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504767897
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767897
• Sonrisas canónicas: CC(CC(C1C(O1)(C)C)O)C2=C3CC(C4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)O
• IUPAC Name: (5R,8S,9S,10S,11S,14R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
• InChIKey: GBJKHDVRXAVITG-UNPOXIGHSA-N
• INCHI: 1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
• Isómeros SMILES: C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)O)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)O
• Peso molecular: 472.71
• Reaxy-Rn: 15802024
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15802024&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-oxo-5-alpha-steroids 11-beta-hydroxysteroids Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpenoid - 23-hydroxysteroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 3-oxo-5-alpha-steroid - Steroid - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Ketone - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organooxygen compound - Organic oxide - Carbonyl group - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: Protostanes

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)

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

HepG2 (196354 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 95 mg/mL (200.97 mM)
• Sensibilidad: Light sensitive
• Peso molecular: 472.700 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 472.355 Da
• Monoisotopic Mass: 472.355 Da
• Topological Polar Surface Area: 70.100 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 917.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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