LM11A-31 - Moligand™, ≥96% , CAS No.102562-74-3

CAS: 102562-74-3 Cat. No.: L692395 Fórmula: C₁₂H₂₅N₃O₂ Peso molecular: 243.35

GRADE & PURITY Moligand™, ≥96%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Especificações e pureza

Moligand™, ≥96%

Mecanismos bioquímicos e fisiológicos

LM11A-31, a non-peptide p75NTR (neurotrophin receptor p75) modulator, is an amino acid derivative with high blood-brain barrier permeability and blocks p75-mediated cell death. LM11A-31 reverses cholinergic neurite dystrophy in Alzheimer's disease mouse m

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

MODULATOR

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

528765294

Sorrisos canónicos

CCC(C)C(C(=O)NCCN1CCOCC1)N

IUPAC Name

(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide

InChIKey

YNMUTYLWSRFTPX-QWRGUYRKSA-N

INCHI

1S/C12H25N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10-,11-/m0/s1

SMILES isoméricas

CC[C@H](C)[C@@H](C(=O)NCCN1CCOCC1)N

Peso molecular

243.35

Reaxy-Rn

11335776

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11335776&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Isoleucine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Isoleucine and derivatives
• Alternative Parents: Alpha amino acid amides N-acyl amines Morpholines Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Isoleucine or derivatives - Alpha-amino acid amide - Fatty amide - Morpholine - N-acyl-amine - Oxazinane - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Primary amine - Carbonyl group - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Propriedades químicas e físicas

• Peso molecular: 243.350 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 243.195 Da
• Monoisotopic Mass: 243.195 Da
• Topological Polar Surface Area: 67.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 230.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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