Salvinorin B - ≥95% , CAS No.92545-30-7

CAS: 92545-30-7 Cat. No.: S276022 Molecular Weight: 390.43 PubChem CID: 11440685

GRADE & PURITY ≥95%

Synonyms

HB4887 | Salvinorin B | Methyl (2R,4aR,6aR,7S,9R,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-9-oxidanyl-4,10-bis(oxidanylidene)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo(f)isochromene-7-carboxylate | (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-Furanyl)dodecahydro-9-hydro

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Shipped at 4°C. Store at -20°C long term. Store In the Dark. Store under desiccating conditions.

Specifications

Synonyms

HB4887 | Salvinorin B | Methyl (2R, 4aR, 6aR, 7S, 9R, 10aS, 10bR)-2-(furan-3-yl)-6a, 10b-dimethyl-9-oxidanyl-4, 10-bis(oxidanylidene)-2, 4a, 5, 6, 7, 8, 9, 10a-octahydro-1H-benzo(f)isochromene-7-carboxylate | (2S, 4aR, 6aR, 7R, 9S, 10aS, 10bR)-2-(3-Furanyl)dodecahydro-9-hydro

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

A potent and selective\xa0κ-opioid DREADD (KORD) agonist. DREADDs are chemogenetic tools widely used to remotely control cellular signaling, neuronal activity and behavior.\xa0Displays no analgesic or ataxic effects in wild type mice.

Storage

Protected from light, Store at -20°C, Argon charged, 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

• Pubchem Sid: 488197505
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197505
• Canonical Smiles: CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC)O)C)C4=COC=C4
• IUPAC Name: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
• InChIKey: BLTMVAIOAAGYAR-CEFSSPBYSA-N
• INCHI: 1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
• Isomeric SMILES: C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)O)C)C4=COC=C4
• PubChem CID: 11440685
• Molecular Weight: 390.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Terpene lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpene lactones
• Alternative Parents: Colensane and clerodane diterpenoids Naphthopyrans Naphthalenes Delta valerolactones Pyrans Oxanes Dicarboxylic acids and derivatives Furans Heteroaromatic compounds Methyl esters Cyclic alcohols and derivatives Secondary alcohols Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diterpene lactone - Diterpenoid - Clerodane diterpenoid - Naphthopyran - Naphthalene - Delta valerolactone - Delta_valerolactone - Pyran - Oxane - Dicarboxylic acid or derivatives - Cyclic alcohol - Heteroaromatic compound - Methyl ester - Furan - Carboxylic acid ester - Secondary alcohol - Ketone - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.
• 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(Human)

OPRK1 Tclin Kappa-type opioid receptor (3 Activities)

Discover Target: OPRK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

OPRM1 Tclin Mu opioid receptor (19785 Activities)

Discover Target: OPRM1

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

OPRD1 Tclin Delta opioid receptor (15096 Activities)

Discover Target: OPRD1

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

OPRK1 Tclin Kappa opioid receptor (16155 Activities)

Discover Target: OPRK1

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

OPRK1 Tclin Opioid receptors; delta & kappa (935 Activities)

Discover Target: OPRK1

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 to 10mM；chloroform: soluble
• Sensitivity: light sensitive;air sensitive
• Molecular Weight: 390.400 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 390.168 Da
• Monoisotopic Mass: 390.168 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 690.000
• 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