IM-12 - Moligand™, ≥95% , Inhibitor of glycogen synthase kinase 3 beta, CAS No.1129669-05-1, Inhibitor of glycogen synthase kinase 3 beta

CAS: 1129669-05-1 Cat. No.: I340238 分子式: C₂₂H₂₀FN₃O₂ 分子量: 377.41 EC番号: 694-694-8

GRADE & PURITY Moligand™, ≥95%

Synonyms

A14196 | BRD-K69241845-001-01-0 | 3-Methoxy-17alpha-ethinylestradiol | GTPL8017 | C22H20FN3O2 | s7566 | IM12 | IM-12 | 1129669-05-1 | BCP10769 | DTXSID20649091 | SCHEMBL17378682 | FT-0730225 | HY-12292 | Q27078043 | AC-32946 | IM 12 | SW219497-1 | AS-5582

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

A14196 | BRD-K69241845-001-01-0 | 3-Methoxy-17alpha-ethinylestradiol | GTPL8017 | C22H20FN3O2 | s7566 | IM12 | IM-12 | 1129669-05-1 | BCP10769 | DTXSID20649091 | SCHEMBL17378682 | FT-0730225 | HY-12292 | Q27078043 | AC-32946 | IM 12 | SW219497-1 | AS-5582

仕様と純度

Moligand™, ≥95%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of glycogen synthase kinase 3 beta

純度

≥95%

名前と識別子

パブケム・シド

504770017

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504770017

カノニカル・スマイル

CC1=C(C2=CC=CC=C2N1)C3=C(C(=O)N(C3=O)C)NCCC4=CC=C(C=C4)F

IUPAC Name

3-[2-(4-fluorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione

InChIKey

ZKJAZFUFPPSFCO-UHFFFAOYSA-N

INCHI

1S/C22H20FN3O2/c1-13-18(16-5-3-4-6-17(16)25-13)19-20(22(28)26(2)21(19)27)24-12-11-14-7-9-15(23)10-8-14/h3-10,24-25H,11-12H2,1-2H3

異性体SMILES

CC1=C(C2=CC=CC=C2N1)C3=C(C(=O)N(C3=O)C)NCCC4=CC=C(C=C4)F

分子量

377.41

Reaxy-Rn

19097379

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19097379&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Phenethylamines Indoles Aralkylamines Fluorobenzenes Maleimides Substituted pyrroles Aryl fluorides N-substituted carboxylic acid imides Vinylogous amides Pyrrolines Dicarboximides Heteroaromatic compounds Enamines Azacyclic compounds Dialkylamines Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organofluorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Indole - Indole or derivatives - Phenethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Maleimide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Substituted pyrrole - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Vinylogous amide - Pyrrole - Pyrroline - Secondary amine - Secondary aliphatic amine - Organoheterocyclic compound - Azacycle - Enamine - Organic oxide - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

関連ターゲット（人間）

GSK3B Tclin Glycogen synthase kinase-3 beta (1 Activities)

Discover Target: GSK3B

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive
• 分子量: 377.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 377.154 Da
• Monoisotopic Mass: 377.154 Da
• Topological Polar Surface Area: 65.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 656.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). 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.

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 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 1129669-05-1, the molecular formula is C22H20FN3O2, and the molecular weight is 377.41 g/mol. InChIKey ZKJAZFUFPPSFCO-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.