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 Molecular Weight: 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

Overview

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

Specifications

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

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of CRF 1 receptor

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CC1=NN2C(=C1C3=C(C=C(C=C3)Cl)Cl)N=C(N=C2NC(COC)COC)C
• Alternate CAS: 202578-52-7
• PubChem CID: 9909468
• MeSH Entry Terms: 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
• Molecular Weight: 410.30

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Associated Targets(Human)

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

Associated Targets(non-human)

Canis familiaris (36305 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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