Thiochrome - Moligand™, ≥99% , Allosteric modulator of M 1 receptor;Allosteric modulator of M 2 receptor;Allosteric modulator of M 3 receptor;Allosteric modulator of M 4 receptor, CAS No.92-35-3, Allosteric modulator of M 1 receptor;Allosteric modulator of M 2 receptor;Allosteric modulator of M 3 receptor;Allosteric modulator of M 4 receptor

CAS: 92-35-3 Cat. No.: T344126 Formule: C₁₂H₁₄N₄OS Poids moléculaire: 262.33 Numéro CE: 202-149-9 PubChem CID: 66706

GRADE & PURITY Moligand™, ≥99%

Synonyms

UNII-65UT4V5Z34 | 2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethanol | 5H-Pyrimido[4,5-d]thiazolo[3,2-a]pyrimidine-8-ethanol, 2,7-dimethyl- | HY-N7247 | EINECS 202-149-9 | 2,7-Dimethylthiachromine-8-et

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Selective M4 muscarinic receptor enhancer of acetylcholine affinity.

Specifications

Synonymes

UNII-65UT4V5Z34 | 2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethanol | 5H-Pyrimido[4,5-d]thiazolo[3,2-a]pyrimidine-8-ethanol, 2,7-dimethyl- | HY-N7247 | EINECS 202-149-9 | 2,7-Dimethylthiachromine-8-et

Spécifications et pureté

Moligand™, ≥99%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Grade

Moligand™

Type d'action

ALLOSTERIC MODULATOR

Mécanisme d'action

Allosteric modulator of M 1 receptor;Allosteric modulator of M 2 receptor;Allosteric modulator of M 3 receptor;Allosteric modulator of M 4 receptor

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 508815332
• Sourires canoniques: CC1=C(SC2=NC3=NC(=NC=C3CN12)C)CCO
• IUPAC Name: 2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethanol
• InChIKey: GTQXMAIXVFLYKF-UHFFFAOYSA-N
• INCHI: 1S/C12H14N4OS/c1-7-10(3-4-17)18-12-15-11-9(6-16(7)12)5-13-8(2)14-11/h5,17H,3-4,6H2,1-2H3
• Isomères SMILES: CC1=C(SC2=NC3=NC(=NC=C3CN12)C)CCO
• PubChem CID: 66706
• Poids moléculaire: 262.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidines and pyrimidine derivatives
• Alternative Parents: Thiazoles Heteroaromatic compounds Isothioureas Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrimidine - Heteroaromatic compound - Thiazole - Azole - Isothiourea - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
• 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)

CHRM3 Tclin Muscarinic acetylcholine receptor M3 (1 Activities)

Discover Target: CHRM3

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

CHRM4 Tclin Muscarinic acetylcholine receptor M4 (1 Activities)

Discover Target: CHRM4

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

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (1 Activities)

Discover Target: CHRM2

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

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (1 Activities)

Discover Target: CHRM1

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

Propriétés chimiques et physiques

• Point de fusion (°C): 232-235° C
• Poids moléculaire: 262.330 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 262.089 Da
• Monoisotopic Mass: 262.089 Da
• Topological Polar Surface Area: 86.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 409.000
• 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