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

CAS: 1421866-48-9 Cat. No.: A650017 분자식: C₂₅H₃₇N₅O₆ 분자량: 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

개요

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

동의어

(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

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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

보관 조건

Store at 2-8°C

배송

Wet ice

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작업 유형

PARTIAL AGONIST

작동 메커니즘

Glutamate [NMDA] receptor partial agonist

순수함

≥98%

제품 특성

• ALogP: -1

이름과 식별자

• 정식 스마일: 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
• 이성체 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
• 대체 CAS: 1421866-48-9
• PubChem CID: 71249967
• 분자량: 503.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: DMSO : 155 mg/mL (307.79 mM; Need ultrasonic) H2O : ≥ 6.67 mg/mL (13.24 mM)
• 분자량: 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