ML-9 - 10mM in DMSO , CAS No.105637-50-1

CAS: 105637-50-1 Cat. No.: M420480 Fórmula: C₁₅H₁₇N₂O₂SCl · HCl Peso molecular: 361.29 PubChem CID: 108047

GRAU & PUREZA 10mM in DMSO

Synonyms

ML-9|105637-50-1|ML-9 hydrochloride|1-((5-Chloronaphthalen-1-yl)sulfonyl)-1,4-diazepane hydrochloride|ML 9 hydrochloride|ML-9 HCl|1-(5-Chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine HCl|BZ2L6JK93I|NSC-734549|1-(5-Chloronaphthalenesulfonyl)homopi

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Especificações

Sinónimos

ML-9 | 105637-50-1 | ML-9 hydrochloride | 1-((5-Chloronaphthalen-1-yl)sulfonyl)-1,4-diazepane hydrochloride | ML 9 hydrochloride | ML-9 HCl | 1-(5-Chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine HCl | BZ2L6JK93I | NSC-734549 | 1-(5-Chloronaphthalenesulfonyl)homopi

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

ML-9 is myosin light chain kinase inhibitor. It inhibits insulin-induced translocation of glucose transporters GLUT4 and GLUT1 in a dose-dependent manner. ML-9 also inhibits agonist-induced Ca2+ entry into endothelial cells and catecholamine secretion in

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

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

Tipo de ação

INHIBITOR

Nomes e identificadores

Pubchem Sid

528765510

Sorrisos canónicos

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl.Cl

IUPAC Name

1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane;hydrochloride

InChIKey

ZNRYCIVTNLZOGI-UHFFFAOYSA-N

INCHI

1S/C15H17ClN2O2S.ClH/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18;/h1-2,4-7,17H,3,8-11H2;1H

SMILES isoméricas

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl.Cl

WGK Alemanha

3

PubChem CID

108047

Peso molecular

361.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-naphthalene sulfonic acids and derivatives
• Alternative Parents: 1-naphthalene sulfonamides Chloronaphthalenes 1,4-diazepanes Organosulfonamides Aryl chlorides Sulfonyls Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Chloronaphthalene - 1,4-diazepane - Diazepane - Aryl chloride - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Amine - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused 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

Alvos associados (humanos)

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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

PRKX Tchem Serine/threonine-protein kinase PRKX (2278 Activities)

Discover Target: PRKX

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

Alvos associados (não humanos)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

nfo Endonuclease 4 (425 Activities)

Discover Target: nfo

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 361.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 360.047 Da
• Monoisotopic Mass: 360.047 Da
• Topological Polar Surface Area: 57.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 451.000
• 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: 2

XLogP3