LY2979165 - Moligand™, ≥98% , CAS No.1311385-32-6

CAS: 1311385-32-6 Cat. No.: L651431 分子式: C₁₃H₂₂N₆O₆S 分子量: 390.42

GRADE & PURITY Moligand™, ≥98%

Synonyms

AKOS037748829 | AC-35929 | AS-56455 | mGlu2 agonist | DTXSID00735345 | (1R,2S,4R,5R,6R)-4-((4H-1,2,4-Triazol-3-yl)thio)-2-((S)-2-aminopropanamido)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, ammonia salt hydrate | EX-A2093 | (1R,2S,4R,5R,6R)-2-[[(2S)-2-ami

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

LY2979165 is the alanine proagent of 2812223, a selective and potent orthosteric mGlu2 receptor agonist

Specifications

同義語

AKOS037748829 | AC-35929 | AS-56455 | mGlu2 agonist | DTXSID00735345 | (1R,2S,4R,5R,6R)-4-((4H-1,2,4-Triazol-3-yl)thio)-2-((S)-2-aminopropanamido)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, ammonia salt hydrate | EX-A2093 | (1R,2S,4R,5R,6R)-2-[[(2S)-2-ami

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

LY2979165 is the alanine proagent of 2812223, a selective and potent orthosteric mGlu2 receptor agonist.

保管条件

Protected from light,Store at -20°C,Desiccated

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

AGONIST

純度

≥98%

名前と識別子

カノニカル・スマイル

CC(C(=O)NC1(CC(C2C1C2C(=O)O)SC3=NC=NN3)C(=O)O)N.N.O

IUPAC Name

(1R,2S,4R,5R,6R)-2-[[(2S)-2-aminopropanoyl]amino]-4-(1H-1,2,4-triazol-5-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid;azane;hydrate

InChIKey

FICWTZOQUXUYOK-AHKKVLALSA-N

INCHI

1S/C13H17N5O5S.H3N.H2O/c1-4(14)9(19)17-13(11(22)23)2-5(24-12-15-3-16-18-12)6-7(8(6)13)10(20)21;;/h3-8H,2,14H2,1H3,(H,17,19)(H,20,21)(H,22,23)(H,15,16,18);1H3;1H2/t4-,5+,6-,7-,8-,13-;;/m0../s1

異性体SMILES

C[C@@H](C(=O)N[C@]1(C[C@H]([C@@H]2[C@H]1[C@H]2C(=O)O)SC3=NC=NN3)C(=O)O)N.N.O

代替CAS番号

1311385-35-9

分子量

390.42

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 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: N-acyl-L-alpha-amino acids Alpha amino acid amides Alanine and derivatives Alkylarylthioethers Cyclopropanecarboxylic acids Dicarboxylic acids and derivatives Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Sulfenyl compounds Azacyclic compounds Carboxylic acids Organopnictogen compounds Monoalkylamines Carbonyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Alanine or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Alkylarylthioether - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - 1,2,4-triazole - Heteroaromatic compound - Azole - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid - Hydrocarbon derivative - Primary aliphatic amine - Amine - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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

化学的性質と物理的性質

• 溶解度: H2O : ≥ 50 mg/mL (128.07 mM) DMSO : 1 mg/mL (2.56 mM; Need ultrasonic and warming)
• 感度: Moisture sensitive
• 分子量: 390.420 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 390.132 Da
• Monoisotopic Mass: 390.132 Da
• Topological Polar Surface Area: 199.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 577.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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: 3

XLogP3

よくある質問

What is the purity of this product?

This product is supplied at ≥98% 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 ?20 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 1311385-32-6, the molecular formula is C13H22N6O6S, and the molecular weight is 390.42 g/mol. InChIKey FICWTZOQUXUYOK-AHKKVLALSA-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.