CASIN - ≥98%(HPLC) , CAS No.425399-05-9

CAS: 425399-05-9 Cat. No.: C286916 Formula: C₂₀H₂₂N₂O Molecular Weight: 306.4 EC Number: 839-822-7

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-[(2,3,4,9-Tetrahydro-6-phenyl-1H-carbazol-1-yl)amino]ethanol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

CASIN is a selective GTPase Cdc42 inhibitor with an IC50 of 2 uM. CASIN can be used for the research of cancer。

Application：
CASIN has been used as a cell division control protein 42 homolog (Cdc42) inhibitor:

to study its effects on the stimulation of extracellular vesicles (EVs) in intestinal epithelial cells

to study its effects on mice jejunum

to study its effects on microbial adhesion-triggered endocytosis (MATE) vesicle morphology in segmented filamentous bacteria (SFB)-colonized mice

Specifications

Synonyms

2-[(2,3,4,9-Tetrahydro-6-phenyl-1H-carbazol-1-yl)amino]ethanol

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Cdc42 GTPase inhibitor (IC50= 2μM). Reduces active levels of Cdc42 in aged hematopoietic stem cells (HSCs) to that in young HSCs. Reverses the aging-related and polarity phenotype of aged HSCs to that of young HSCsin vivo. Increases histone H4K16 acetylat

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.

Purity

≥98%(HPLC)

Names and Identifiers

Pubchem Sid

488194113

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194113

Canonical Smiles

C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)C4=CC=CC=C4)NCCO

IUPAC Name

2-[(6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol

InChIKey

RXIUMAOXORBRCY-UHFFFAOYSA-N

INCHI

1S/C20H22N2O/c23-12-11-21-19-8-4-7-16-17-13-15(14-5-2-1-3-6-14)9-10-18(17)22-20(16)19/h1-3,5-6,9-10,13,19,21-23H,4,7-8,11-12H2

Isomeric SMILES

C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)C4=CC=CC=C4)NCCO

Molecular Weight

306.4

Reaxy-Rn

11692090

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11692090&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: 3-alkylindoles Aralkylamines Benzene and substituted derivatives Pyrroles Heteroaromatic compounds 1,2-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - 3-alkylindole - Indole - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - 1,2-aminoalcohol - Azacycle - Alkanolamine - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Amine - Organopnictogen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

SARS-CoV-2 (38078 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: Solvent:DMSO, Max Conc. mg/mL: 30.64, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 15.32, Max Conc. mM: 50
• Molecular Weight: 306.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 306.173 Da
• Monoisotopic Mass: 306.173 Da
• Topological Polar Surface Area: 48.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 382.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 425399-05-9, the molecular formula is C??H??N?O, and the molecular weight is 306.4 g/mol. InChIKey RXIUMAOXORBRCY-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.