Atipamezole - Moligand™, ≥98%(HPLC) , Antagonist of α 2A-adrenoceptor;Antagonist of α 2B-adrenoceptor;Antagonist of α 2C-adrenoceptor, CAS No.104054-27-5, Antagonist of α 2A-adrenoceptor;Antagonist of α 2B-adrenoceptor;Antagonist of α 2C-adrenoceptor

CAS: 104054-27-5 Cat. No.: A132977 Summenformel: C₁₄H₁₆N₂ Molekulargewicht: 212.29

QUALITÄT & REINHEIT Moligand™, ≥98%(HPLC)

Synonyms

MPV 1248|antipamezole|Atipamezolum (Latin)|Aurin No. 555|4-(2-ethyl-2-indanyl)imidazole.|Vioxx Dolor|Ren-O-sal|MPV-1248|WILLARDINE|Atipamezole [USAN:INN:BAN]|ATIPAMEZOLE [USAN]|Antisedan (TN)|1H-Imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-|4-(2-Ethyl-2-indanyl)imidazole|ZEOLITE, TYPE|[2R-(2alpha,6a-alpha,12a-alpha)]-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one|ATIPAMEZOLE [MI]|ATIPAMEZOLE [INN]|Atipamezolum [Latin]|5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole|Atipamezolum|SKF 101468|(1-Methyl-5-nitro-1H-imidazol-2-yl)methyl carbamate|Atipamezol|Atipamezol [Spanish]|(RS)-4CPG|Atipamezole (USAN/INN)|Atipamezole Base|5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole|Antisedan|Atipamezole|ATIPAMEZOLE (MART.)|ATIPAMEZOLE [MART.]

Storage

Room temperature

Shipped In

Normal

Übersicht

Atipamezole(MPV1248) is an alpha-adrenoceptor antagonist with high affinity and selectivity for the alpha 2-receptor.

Spezifikationen

Synonyme

MPV 1248 | antipamezole | Atipamezolum (Latin) | Aurin No. 555 | 4-(2-ethyl-2-indanyl)imidazole. | Vioxx Dolor | Ren-O-sal | MPV-1248 | WILLARDINE | Atipamezole [USAN:INN:BAN] | ATIPAMEZOLE [USAN] | Antisedan (TN) | 1H-Imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)- | 4-(2-Ethyl-2-indanyl)imidazole | ZEOLITE, TYPE | [2R-(2alpha,6a-alpha Show more

Spezifikationen & Reinheit

Moligand™, ≥98%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of α 2A-adrenoceptor;Antagonist of α 2B-adrenoceptor;Antagonist of α 2C-adrenoceptor

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

488184646

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184646

Kanonisches Lächeln

CCC1(CC2=CC=CC=C2C1)C3=CN=CN3

IUPAC Name

5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole

InChIKey

HSWPZIDYAHLZDD-UHFFFAOYSA-N

INCHI

1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)

Isomere SMILES

CCC1(CC2=CC=CC=C2C1)C3=CN=CN3

WGK Deutschland

3

Alternative CAS-Nummer

104054-27-5

MeSH-Eintrag

1H-imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-;antipamezole;atipamezole;MPV 1248;MPV-1248

Molekulargewicht

212.29

Reaxy-Rn

8142269

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8142269&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indane - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to 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

Zugehörige Ziele (menschlich)

ADRA2B Tclin Alpha-2B adrenergic receptor (1 Activities)

Discover Target: ADRA2B

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

ADRA2C Tclin Alpha-2C adrenergic receptor (1 Activities)

Discover Target: ADRA2C

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

ADRA2A Tclin Alpha-2A adrenergic receptor (3 Activities)

Discover Target: ADRA2A

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

ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

Discover Target: ADRA2A

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

SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

Discover Target: SLC6A2

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

SLC6A4 Tclin Serotonin transporter (12625 Activities)

Discover Target: SLC6A4

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

ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)

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

ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)

Discover Target: ADRA2B

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

ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)

Discover Target: ADRA2C

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

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Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

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

Mus musculus (284745 Activities)

Explore this target

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

Adra1b Adrenergic receptor alpha-1 (5652 Activities)

Discover Target: Adra1b

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

Adra2c Adrenergic receptor alpha-2 (3313 Activities)

Discover Target: Adra2c

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 129 °C
• Molekulargewicht: 212.290 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 212.131 Da
• Monoisotopic Mass: 212.131 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 237.000
• 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