DMP696 - Moligand™, ≥98% , Antagonist of CRF 1 receptor, CAS No.202578-52-7, Antagonist of CRF 1 receptor

CAS: 202578-52-7 Cat. No.: D609929 Formule: C₁₈H₂₁Cl₂N₅O₂ Poids moléculaire: 410.30 PubChem CID: 9909468

GRADE & PURITY Moligand™, ≥98%

Synonyms

UNII-WCA5SCC429 | MS-27062 | WCA5SCC429 | [8-(2,4-Dichloro-phenyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-yl]-(2-methoxy-1-methoxymethyl-ethyl)-amine | 8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-a

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

DMP 696 is a selective corticotropin-releasing hormone receptor 1 (CRHR1) antagonist, used for the treatment of anxiety and depression.

Specifications

Synonymes

UNII-WCA5SCC429 | MS-27062 | WCA5SCC429 | [8-(2,4-Dichloro-phenyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-yl]-(2-methoxy-1-methoxymethyl-ethyl)-amine | 8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-a

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of CRF 1 receptor

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528764206
• Sourires canoniques: CC1=NN2C(=C1C3=C(C=C(C=C3)Cl)Cl)N=C(N=C2NC(COC)COC)C
• IUPAC Name: 8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
• InChIKey: MDWRPTOUDPFXKK-UHFFFAOYSA-N
• INCHI: 1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)
• Isomères SMILES: CC1=NN2C(=C1C3=C(C=C(C=C3)Cl)Cl)N=C(N=C2NC(COC)COC)C
• CAS alternatif: 202578-52-7
• PubChem CID: 9909468
• Termes d'entrée MeSH: 4-(1,3-dimethoxy-2-propylamino)-2,7-dimethyl-8-(2,4-dichlorophenyl)(1,5-a)pyrazolo-1,3,5-triazine;DMP 696;DMP-696;DMP696
• Poids moléculaire: 410.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Pyrazolotriazines Pyrazolo[1,5-a][1,3,5]triazines Dichlorobenzenes N-aliphatic s-triazines Aryl chlorides 1,3,5-triazines Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Pyrazolo[1,5-a][1,3,5]triazine - Pyrazolotriazine - 1,3-dichlorobenzene - Amino-1,3,5-triazine - Aminotriazine - Chlorobenzene - Halobenzene - N-aliphatic s-triazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Triazine - Heteroaromatic compound - Azacycle - Ether - Dialkyl ether - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• 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)

CRHR1 Tclin Corticotropin-releasing factor receptor 1 (8 Activities)

Discover Target: CRHR1

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

CRHR1 Tclin Corticotropin releasing factor receptor 1 (2996 Activities)

Discover Target: CRHR1

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

Cibles associées (non humaines)

Canis familiaris (36305 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 410.300 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 409.107 Da
• Monoisotopic Mass: 409.107 Da
• Topological Polar Surface Area: 73.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 471.000
• 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