ML213 - Moligand™, 10mM in DMSO , Activator of K v7.4, CAS No.489402-47-3, Activator of K v7.4

CAS: 489402-47-3 Cat. No.: M424236 Formule: C₁₇H₂₃NO Poids moléculaire: 257.37 Numéro CE: 803-886-4

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-6-carboxamide | ML213 | ML-213 | MLS003370512 | SMR000514557 | EX-A2551 | s6553 | Q27087011 | STK373915 | CID 3111211 | N-mesitylbicyclo[2.2.1]heptane-2-carboxamide | bicyclo[2.2.1]heptane-2-carboxylic acid (

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonymes

N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-6-carboxamide | ML213 | ML-213 | MLS003370512 | SMR000514557 | EX-A2551 | s6553 | Q27087011 | STK373915 | CID 3111211 | N-mesitylbicyclo[2.2.1]heptane-2-carboxamide | bicyclo[2.2.1]heptane-2-carboxylic acid (

Spécifications et pureté

Moligand™, 10mM in DMSO

Mécanismes biochimiques et physiologiques

Selective KV7.2 (KCNQ2) and KV7.4 (KCNQ4) channel opener (EC50values are 230 and 510 nM for KV7.2 and KV7.4 respectively). Displays > 80-fold selectivity against KV7.1, KV7.3 and KV7.5 in a thallium-based fluorescence assay. Hyperpolarizes resting membran

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ACTIVATOR

Mécanisme d'action

Activator of K v7.4

Noms et identifiants

• Pubchem Sid: 528765518
• Sourires canoniques: CC1=CC(=C(C(=C1)C)NC(=O)C2CC3CCC2C3)C
• IUPAC Name: N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
• InChIKey: SIQGKPGBLYKQBB-UHFFFAOYSA-N
• INCHI: 1S/C17H23NO/c1-10-6-11(2)16(12(3)7-10)18-17(19)15-9-13-4-5-14(15)8-13/h6-7,13-15H,4-5,8-9H2,1-3H3,(H,18,19)
• Isomères SMILES: CC1=CC(=C(C(=C1)C)NC(=O)C2CC3CCC2C3)C
• WGK Allemagne: 3
• Poids moléculaire: 257.37
• Reaxy-Rn: 24287972
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24287972&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Aromatic monoterpenoids Anilides N-arylamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Aromatic monoterpenoid - Bicyclic monoterpenoid - Anilide - N-arylamide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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

Cibles associées (humaines)

KCNQ4 Tclin Potassium voltage-gated channel subfamily KQT member 4 (2 Activities)

Discover Target: KCNQ4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNQ4 Tclin Voltage-gated potassium channel subunit Kv7.4 (100 Activities)

Discover Target: KCNQ4

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

U2OS (164939 Activities)

Explore this target

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

KCNQ2 Tclin Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) (372 Activities)

Discover Target: KCNQ2

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

HEK-293T (167025 Activities)

Explore this target

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

KCNQ3 Tclin Voltage-gated potassium channel KCNQ3/KCNQ5 (37 Activities)

Discover Target: KCNQ3

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

Cibles associées (non humaines)

Kcnq2 Voltage-gated potassium channel subunit Kv7.2 (95 Activities)

Discover Target: Kcnq2

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

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

Kcnq2 Potassium voltage-gated channel subfamily KQT member 2/member 3 (14 Activities)

Discover Target: Kcnq2

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 257.370 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 257.178 Da
• Monoisotopic Mass: 257.178 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 341.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1