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

CAS: 1802632-22-9 Cat. No.: C650901 Formule: C₂₄H₃₃NO₄S Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

Moligand™,≥97%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: CC(C)(C)OC1=C(C=CC(=C1)CCC(C)(C)N2CC3=C(C2)C=C(C=C3)S(=O)(=O)C)O
• CAS alternatif: 1802632-22-9,2243184-39-4
• PubChem CID: 118278088
• Poids moléculaire: 431.59

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Cibles associées (humaines)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

Cibles associées (non humaines)

N2a (708 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 250 mg/mL (579.25 mM; Need ultrasonic)
• Poids moléculaire: 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

Foire aux 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.