Mebetide , CAS No.360-81-6

Name: Mebetide , CAS No.360-81-6
Brand: Aladdin Scientific
SKU: M667942
Availability: InStock

CAS: 360-81-6 Cat. No.: M667942 Summenformel: C₈H₈N₂O₂S Molekulargewicht: 196.23 PubChem CID: 67760

Mebetide - CAS No(360-81-6) by Aladdin Scientific

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Synonyms

Mebetide|3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide|3-methyl-4h-1,2,4-benzothiadiazine 1,1-dioxide|3-Methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide|3-Metil-2H-1,2,4-benzotiodiazina 1,1-diossido [Italian]|3-Metil-2H-1,2,4-benzotiodiazina 1,1-diossido|2H-1,2,4-Benzothiadiazine, 3-methyl-, 1,1-dioxide|3-methyl-4h-1,2,4-benzothiadiazine-1,1-dioxide|3-methyl-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide|3-methyl-1,2-dihydro-1,2,4-benzothiadiazine-1,1-dioxide

Storage

Room temperature

Spezifikationen Produkteigenschaften Namen und Kennungen Erweiterte Daten Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen Häufig gestellte Fragen

Spezifikationen

Synonyme

Mebetide | 3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide | 3-methyl-4h-1,2,4-benzothiadiazine 1,1-dioxide | 3-Methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide | 3-Metil-2H-1,2,4-benzotiodiazina 1,1-diossido [Italian] | 3-Metil-2H-1,2,4-benzotiodiazina 1,1-diossido | 2H-1,2,4-Benzothiadiazine, 3-methyl-, 1,1-dioxide | 3-methyl-4h-1,2,4 Show more

Storage

Room temperature

Produkteigenschaften

ALogP

0.3

Namen und Kennungen

Kanonisches Lächeln

CC1=NS(=O)(=O)C2=CC=CC=C2N1

IUPAC Name

3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

InChIKey

FDWRKMPNEIXNOE-UHFFFAOYSA-N

INCHI

1S/C8H8N2O2S/c1-6-9-7-4-2-3-5-8(7)13(11,12)10-6/h2-5H,1H3,(H,9,10)

Isomere SMILES

CC1=NS(=O)(=O)C2=CC=CC=C2N1

PubChem CID

67760

Molekulargewicht

196.23

Erweiterte Daten

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Klasse Thiadiazines
    - Subclass Benzothiadiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Klasse	Thiadiazines
Subclass	Benzothiadiazines
Intermediate Tree Nodes	Not available
Direct Parent	1,2,4-benzothiadiazine-1,1-dioxides
Alternative Parents	Imidolactams Benzenoids Organosulfonic acids and derivatives Azacyclic compounds Amidines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,2,4-benzothiadiazine-1,1-dioxide - Imidolactam - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as 1,2,4-benzothiadiazine-1,1-dioxides. These are aromatic heterocyclic compounds containing a 1,2,4-benzothiadiazine ring system with two S=O bonds at the 1-position.
External Descriptors	Not available
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

3D-Struktur

Zugehörige Ziele (menschlich)

CA2 Tclin Carbonic anhydrase 2 (1 Activities)

Discover Target: CA2

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

CA12 Tclin Carbonic anhydrase 12 (1 Activities)

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

CA9 Tclin Carbonic anhydrase 9 (1 Activities)

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

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

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

CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

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

A498 (42825 Activities)

Molekulargewicht	196.230 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	196.031 Da
Monoisotopic Mass	196.031 Da
Topological Polar Surface Area	66.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	329.000
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

Mebetide , CAS No.360-81-6

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