Etrinabdione - Moligand™, ≥98% , CAS No.1818428-24-8

CAS: 1818428-24-8 Cat. No.: E650944 Formula: C₂₈H₃₅NO₃ Molecular Weight: 433.58 PubChem CID: 118465221

GRADE & PURITY Moligand™, ≥98%

Synonyms

AC-36333 | Etrinabdione | SCHEMBL17197618 | 1818428-24-8 | VCE-?004.8 | ZB1584 | (1'R,6'R)-3-(benzylamino)-6-hydroxy-3'-methyl-4-pentyl-6'-(prop-1-en-2-yl)-[1,1'-bi(cyclohexane)]-2',3,6-triene-2,5-dione | US10919843, Compound VIII | VCE-004.8

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Etrinabdione (EHP-101; VCE-004.8) is a specific PPARγ and CB2 receptor dual agonist. Etrinabdione inhibits prolyl-hydroxylases (PHDs) and activates the HIF pathway. Etrinabdione, a semi-synthetic multitarget cannabinoquinoid, has potent anti-inflammatory activity. Etrinabdione attenuates adipogenesis and prevents diet-induced obesity .

Specifications

Synonyms

AC-36333 | Etrinabdione | SCHEMBL17197618 | 1818428-24-8 | VCE-?004.8 | ZB1584 | (1'R,6'R)-3-(benzylamino)-6-hydroxy-3'-methyl-4-pentyl-6'-(prop-1-en-2-yl)-[1,1'-bi(cyclohexane)]-2',3,6-triene-2,5-dione | US10919843, Compound VIII | VCE-004.8

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Etrinabdione (EHP-101; VCE-004.8) is an orally active, specific PPARγ and CB 2 receptor dual agonist. Etrinabdione inhibits prolyl-hydroxylases (PHDs) and activates the HIF pathway. Etrinabdione, a semi-synthetic multitarget cannabinoquinoid, has potent a

Storage

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

AGONIST

Purity

≥98%

Names and Identifiers

Pubchem Sid

528764430

Canonical Smiles

CCCCCC1=C(C(=C(C(=O)C1=O)C2C=C(CCC2C(=C)C)C)O)NCC3=CC=CC=C3

IUPAC Name

5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione

InChIKey

CGGGAXJIRQSRPH-JTHBVZDNSA-N

INCHI

1S/C28H35NO3/c1-5-6-8-13-22-25(29-17-20-11-9-7-10-12-20)27(31)24(28(32)26(22)30)23-16-19(4)14-15-21(23)18(2)3/h7,9-12,16,21,23,29,31H,2,5-6,8,13-15,17H2,1,3-4H3/t21-,23+/m0/s1

Isomeric SMILES

CCCCCC1=C(C(=C(C(=O)C1=O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)NCC3=CC=CC=C3

Alternate CAS

1818428-24-8

PubChem CID

118465221

Molecular Weight

433.58

Chemical and Physical Properties

• Solubility: DMSO : 50 mg/mL (115.32 mM; Need ultrasonic)
• Molecular Weight: 433.600 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 433.262 Da
• Monoisotopic Mass: 433.262 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 839.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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