CT1812 - Moligand™,≥97% , CAS No.1802632-22-9

CAS: 1802632-22-9 Cat. No.: C650901 Formula: C₂₄H₃₃NO₄S Molecular Weight: 431.59 PubChem CID: 118278088

GRADE & PURITY Moligand™, ≥97%

Synonyms

CT 1812; CT1812;Sigma-2 receptor antagonist 1 | EX-A2998 | 0661V34NTV | A935876 | ZB1519 | 2-tert-Butoxy-4-(3-(5-methanesulfonyl-1-1,3-dihydro-isoindol-1-yl)-3-methyl-butyl)-phenol | 2243184-39-4 | 2-(tert-butoxy)-4-(3-methyl-3-(5-(methylsulfonyl)isoindol

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

CT1812 is a brain penetrant sigma-2 receptor antagonist with a Ki of 8.5 nM. Zervimesine can be used for the research of Alzheimer’s disease

Specifications

Synonyms

CT 1812; CT1812;Sigma-2 receptor antagonist 1 | EX-A2998 | 0661V34NTV | A935876 | ZB1519 | 2-tert-Butoxy-4-(3-(5-methanesulfonyl-1-1,3-dihydro-isoindol-1-yl)-3-methyl-butyl)-phenol | 2243184-39-4 | 2-(tert-butoxy)-4-(3-methyl-3-(5-(methylsulfonyl)isoindol

Specifications & Purity

Moligand™,≥97%

Biochemical and Physiological Mechanisms

CT1812 (Sigma-2 receptor antagonist 1) is a sigma-2 (σ-2) receptor antagonist.

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

ANTAGONIST

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC1=C(C=CC(=C1)CCC(C)(C)N2CC3=C(C2)C=C(C=C3)S(=O)(=O)C)O
• IUPAC Name: 4-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol
• InChIKey: ISQAPFMBJFZOLG-UHFFFAOYSA-N
• INCHI: 1S/C24H33NO4S/c1-23(2,3)29-22-13-17(7-10-21(22)26)11-12-24(4,5)25-15-18-8-9-20(30(6,27)28)14-19(18)16-25/h7-10,13-14,26H,11-12,15-16H2,1-6H3
• Isomeric SMILES: CC(C)(C)OC1=C(C=CC(=C1)CCC(C)(C)N2CC3=C(C2)C=C(C=C3)S(=O)(=O)C)O
• Alternate CAS: 1802632-22-9,2243184-39-4
• PubChem CID: 118278088
• Molecular Weight: 431.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoindoles and derivatives
      • Subclass Isoindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoindoles and derivatives
• Subclass: Isoindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoindoles
• Alternative Parents: Isoindolines Phenoxy compounds Phenol ethers Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Sulfones Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoindole - Isoindoline - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Sulfone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole.
• 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)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

Associated Targets(non-human)

N2a (708 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 250 mg/mL (579.25 mM; Need ultrasonic)
• Molecular Weight: 431.600 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 431.213 Da
• Monoisotopic Mass: 431.213 Da
• Topological Polar Surface Area: 75.200 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 678.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1802632-22-9, the molecular formula is C24H33NO4S, and the molecular weight is 431.59 g/mol. InChIKey ISQAPFMBJFZOLG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.