LM22A-4 - 10mM in DMSO , CAS No.37988-18-4

CAS: 37988-18-4 Cat. No.: L423720 Molecular Weight: 339.34

GRADE & PURITY 10mM in DMSO

Synonyms

LM 22A4 | LM22a4 | LM-22A4 | LM22A-4 | N1,N3,N5-Tris(2-hydroxyethyl)-1,3,5-benzenetricarboxamide | 5GCL3P6AF5 | N,N',N''-Tris(2-hydroxyethyl)-1,3,5-benzenetricarboxamide | N,N',N''Tris(2-hydroxyethyl)-1,3,5-benzenetricarboxamide | SCHEMBL3321012 | 1,3,5-B

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Shipped at room temperature. Store at -20°C.

Application

LM22A-4 has been used as a component of dissociation medium for mouse embryonic stem cells (mESC) and human embryonic stem (hESC) aggregates.

Specifications

Synonyms

LM 22A4 | LM22a4 | LM-22A4 | LM22A-4 | N1, N3, N5-Tris(2-hydroxyethyl)-1, 3, 5-benzenetricarboxamide | 5GCL3P6AF5 | N, N', N''-Tris(2-hydroxyethyl)-1, 3, 5-benzenetricarboxamide | N, N', N''Tris(2-hydroxyethyl)-1, 3, 5-benzenetricarboxamide | SCHEMBL3321012 | 1, 3, 5-B

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Small molecule BDNF mimetic displaying neurotrophic activity. Partial agonist at TrkB, activating TrkB signaling. Displaces BDNF (IC 50 = 47 nM) in binding assays.\xa0Prevents neuronal degeneration with equal efficacy to that of BDNF in in vitro models of

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

AGONIST

Names and Identifiers

• Canonical Smiles: C1=C(C=C(C=C1C(=O)NCCO)C(=O)NCCO)C(=O)NCCO
• IUPAC Name: 1-N,3-N,5-N-tris(2-hydroxyethyl)benzene-1,3,5-tricarboxamide
• InChIKey: RGWJKANXFYJKHN-UHFFFAOYSA-N
• INCHI: 1S/C15H21N3O6/c19-4-1-16-13(22)10-7-11(14(23)17-2-5-20)9-12(8-10)15(24)18-3-6-21/h7-9,19-21H,1-6H2,(H,16,22)(H,17,23)(H,18,24)
• Isomeric SMILES: C1=C(C=C(C=C1C(=O)NCCO)C(=O)NCCO)C(=O)NCCO
• Molecular Weight: 339.34
• Reaxy-Rn: 2398310
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2398310&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: N-acylethanolamines Benzoyl derivatives Secondary carboxylic acid amides Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzoyl - N-acylethanolamine - Carboxamide group - Secondary carboxylic acid amide - Alkanolamine - Carboxylic acid derivative - Alcohol - Organooxygen compound - Organonitrogen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 339.340 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 339.143 Da
• Monoisotopic Mass: 339.143 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 358.000
• 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