1-(Isopropylamino)-3-phenoxypropan-2-ol(NIP) - Moligand™,≥98% , Antagonist of β 1-adrenoceptor;Antagonist of β 2-adrenoceptor, CAS No.7695-63-8, Antagonist of β 1-adrenoceptor;Antagonist of β 2-adrenoceptor

CAS: 7695-63-8 Cat. No.: N612307 Peso molecular: 209.28 Número EC: 641-526-6 PubChem CID: 3123920

GRADE & PURITY Moligand™, ≥98%

Synonyms

METOPROLOL TARTRATE IMPURITY F [EP IMPURITY] | SY109542 | Desmethoxyethyl metoprolol | Oprea1_349492 | 1-Isopropylamino-3-phenoxy-propan-2-ol | 1-Isopropylamino-3-phenoxypropan-2-ol | AKOS000301409 | DTXSID60874360 | 2-PROPANOL, 1-[(1-METHYLETHYL)AMINO]-3

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

1-(Isopropylamino)-3-phenoxypropan-2-ol（NIP）, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 1-(isopropylamino)-3-phenoxy-2-propanol provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research

Specifications

Sinónimos

METOPROLOL TARTRATE IMPURITY F [EP IMPURITY] | SY109542 | Desmethoxyethyl metoprolol | Oprea1_349492 | 1-Isopropylamino-3-phenoxy-propan-2-ol | 1-Isopropylamino-3-phenoxypropan-2-ol | AKOS000301409 | DTXSID60874360 | 2-PROPANOL, 1-[(1-METHYLETHYL)AMINO]-3

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of β 1-adrenoceptor;Antagonist of β 2-adrenoceptor

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)NCC(COC1=CC=CC=C1)O
• IUPAC Name: 1-phenoxy-3-(propan-2-ylamino)propan-2-ol
• InChIKey: ONXLHKFGTDDVLQ-UHFFFAOYSA-N
• INCHI: 1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
• Isómeros SMILES: CC(C)NCC(COC1=CC=CC=C1)O
• PubChem CID: 3123920
• Peso molecular: 209.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Secondary alcohols 1,2-aminoalcohols Dialkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Objetivos asociados (humanos)

ADRB2 Tclin Beta-2 adrenergic receptor (1 Activities)

Discover Target: ADRB2

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

ADRB1 Tclin Beta-1 adrenergic receptor (1 Activities)

Discover Target: ADRB1

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

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

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

ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

Discover Target: ADRB1

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

HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

Discover Target: HTR1A

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

ADRB1 Tclin Adrenergic receptor beta (1214 Activities)

Discover Target: ADRB1

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

Objetivos asociados (no humanos)

Felis catus (3858 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 209.280 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 209.142 Da
• Monoisotopic Mass: 209.142 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 156.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Ya Chen, Junwei Xu, Lida Shen, Jiantao Zhao, Jinsong Chen, Youwen Yang, Lin Wang, Jianfeng Zhao, Changjiang Wang.  (2022)  Tunable wettability of jet electrodeposited micro-nano structures modified by laser radiation.  SURFACE & COATINGS TECHNOLOGY,      [PMID:] [10.1016/j.surfcoat.2022.128763]

2. Dairui Xie, Hao Huang, Heng Zhang, Fang Shen, Meng Jiang, Xiaoting Li, Hongyan Shang, Jun Ma, Shilin Zhao.  (2022)  Extractive removal of micro and trace nitrofen, 2, 4-dichlorophenol and p-nitrotrophenol from water/soil by humic acid ester ether.  ENVIRONMENTAL TECHNOLOGY,      [PMID:33655807] [10.1080/09593330.2020.1862307]