Resiniferatoxin(RTX) - Moligand™, ≥98% , Vanilloid receptor agonist, CAS No.57444-62-9, Vanilloid receptor agonist

CAS: 57444-62-9 Cat. No.: H614219 Molecular Weight: 628.71 EC Number: 637-354-6

GRADE & PURITY Moligand™, ≥98%

Synonyms

DB06515 | Oxytril | SCHEMBL17792942 | [3H]resiniferatoxin | Q3277888 | (+)-resiniferatoxin | RTX | Mtx-071 | AKOS024456409 | [(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.0

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Resiniferatoxin ((+)-Resiniferatoxin), is a selective agonist of transient receptor potential vanilloid 1 (TRPV1) receptor agonist. Resiniferatoxin can be isolated from the Euphorbia resinifera plant. Resiniferatoxin eliminates TRPV1+ primary sensory afferents and blunt cardiac sympathetic afferent reflex for a relatively long period

Specifications

Synonyms

DB06515 | Oxytril | SCHEMBL17792942 | [3H]resiniferatoxin | Q3277888 | (+)-resiniferatoxin | RTX | Mtx-071 | AKOS024456409 | [(1R, 2R, 6R, 10S, 11R, 13S, 15R, 17R)-13-benzyl-6-hydroxy-4, 17-dimethyl-5-oxo-15-prop-1-en-2-yl-12, 14, 18-trioxapentacyclo[11.4.1.01, 10.0

Specifications & Purity

Moligand™, ≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

ACTIVATOR, AGONIST

Mechanism of action

Vanilloid receptor agonist

Purity

≥98%

Product Properties

• ALogP: 4.5

Names and Identifiers

• Canonical Smiles: CC1CC2(C3C4C1(C5C=C(C(=O)C5(CC(=C4)COC(=O)CC6=CC(=C(C=C6)O)OC)O)C)OC(O3)(O2)CC7=CC=CC=C7)C(=C)C
• IUPAC Name: [(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
• InChIKey: DSDNAKHZNJAGHN-MXTYGGKSSA-N
• INCHI: 1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
• Isomeric SMILES: C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)CC6=CC(=C(C=C6)O)OC)O)C)O[C@](O3)(O2)CC7=CC=CC=C7)C(=C)C
• Alternate CAS: 57444-62-9
• MeSH Entry Terms: reciniferatoxin;resiniferatoxin;RTX diterpene
• Molecular Weight: 628.71

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Rhamnofolane and daphnane diterpenoids
• Alternative Parents: Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles Ortho esters 1,3-dioxepanes Carboxylic acid orthoesters Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids 1,3-dioxanes Tertiary alcohols 1,3-dioxolanes Ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Aldehydes Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Daphnane diterpenoid - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - 1,3-dioxepane - Alkyl aryl ether - Carboxylic acid orthoester - Dioxepane - Phenol - Ortho ester - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Meta-dioxolane - Ketone - Carboxylic acid ester - Orthocarboxylic acid derivative - Ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aldehyde - Alcohol - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as rhamnofolane and daphnane diterpenoids. These are diterpenoids with a structure based on one the rhamnofolane or daphnane skeleton. The rhamnofolane and daphnane skeletons are closely related, being formally derived from casbane by two cyclizations (6,10 and 5,14) followed by cleavage of the 1,15 (daphnane) or 2,15 (rhamnofolane) cyclopropane bonds.
• 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)

KCNA7 Tclin Potassium voltage-gated channel subfamily A member 7 (0 Activities)

Discover Target: KCNA7

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

KCNC1 Tclin Potassium voltage-gated channel subfamily C member 1 (0 Activities)

Discover Target: KCNC1

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

TRPV1 Tclin Transient receptor potential cation channel subfamily V member 1 (0 Activities)

Discover Target: TRPV1

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

KCNA2 Tclin Potassium voltage-gated channel subfamily A member 2 (0 Activities)

Discover Target: KCNA2

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

KCNA5 Tclin Potassium voltage-gated channel subfamily A member 5 (0 Activities)

Discover Target: KCNA5

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

KCNA1 Tclin Potassium voltage-gated channel subfamily A member 1 (0 Activities)

Discover Target: KCNA1

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

Chemical and Physical Properties

• Solubility: DMSO: soluble
• Sensitivity: Light sensitive
• Boil Point(°C): 768.7°Cat760mmHg
• Melt Point(°C): 175°C-185°C
• Molecular Weight: 628.700 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 628.267 Da
• Monoisotopic Mass: 628.267 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 1330.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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