Apimostinel - ≥98% , Glutamate [NMDA] receptor partial agonist, CAS No.1421866-48-9, Glutamate [NMDA] receptor partial agonist

CAS: 1421866-48-9 Cat. No.: A650017 分子式: C₂₅H₃₇N₅O₆ 分子量: 503.59 PubChem CID: 71249967

GRADE & PURITY ≥98%

Synonyms

(2R)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-benzylpyrrolidine-2-carboxamide | DB11784 | SCHEMBL14682282 | Apimostinel [USAN] | 1421866-48-9 | L-THREONYL-L-PROLYL-2-BENZYL-L-PROL

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Apimostinel (NRX-1074; AGN-241660) is an orally active NMDA receptor partial agonist.

In Vitro

Apimostinel (NRX-1074) modulates the NMDA receptor in a similar fashion to GLYX-13, but has a synthetic modification to one of the amino acids, conferring increased potency and oral bioavailability. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

In preclinical models the two compounds both appear to be highly efficacious across a number of CNS disorders . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

同義語

(2R)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-benzylpyrrolidine-2-carboxamide | DB11784 | SCHEMBL14682282 | Apimostinel [USAN] | 1421866-48-9 | L-THREONYL-L-PROLYL-2-BENZYL-L-PROL

仕様と純度

≥98%

生化学的・生理学的メカニズム

Apimostinel (NRX-1074; AGN-241660) is an orally active NMDA receptor partial agonist.

保管条件

Store at 2-8°C

入荷

Wet ice

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。

アクションタイプ

PARTIAL AGONIST

作用メカニズム

Glutamate [NMDA] receptor partial agonist

純度

≥98%

製品の性質

• ALogP: -1

名前と識別子

• カノニカル・スマイル: CC(C(C(=O)N1CCCC1C(=O)N2CCCC2(CC3=CC=CC=C3)C(=O)NC(C(C)O)C(=O)N)N)O
• IUPAC Name: (2R)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-benzylpyrrolidine-2-carboxamide
• InChIKey: DVBUEXCIEIAXPM-PJUQSVSOSA-N
• INCHI: 1S/C25H37N5O6/c1-15(31)19(26)23(35)29-12-6-10-18(29)22(34)30-13-7-11-25(30,14-17-8-4-3-5-9-17)24(36)28-20(16(2)32)21(27)33/h3-5,8-9,15-16,18-20,31-32H,6-7,10-14,26H2,1-2H3,(H2,27,33)(H,28,36)/t15-,16-,18+,19+,20+,25-/m1/s1
• 異性体SMILES: C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@@]2(CC3=CC=CC=C3)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)N)O
• 代替CAS番号: 1421866-48-9
• PubChem CID: 71249967
• 分子量: 503.59

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 Oligopeptides

• 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: Oligopeptides
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives N-acylpyrrolidines Pyrrolidinecarboxamides Fatty amides Tertiary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-oligopeptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Primary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - Organonitrogen compound - Amine - Organooxygen compound - Primary amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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: DMSO : 155 mg/mL (307.79 mM; Need ultrasonic) H2O : ≥ 6.67 mg/mL (13.24 mM)
• 分子量: 503.600 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 503.274 Da
• Monoisotopic Mass: 503.274 Da
• Topological Polar Surface Area: 179.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 834.000
• 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: 1