TIC10 - Moligand™ , CAS No.T614446

Name: TIC10 - Moligand™ , CAS No.T614446
Brand: Aladdin Scientific
SKU: T614446
Availability: InStock

CAS: T614446 Cat. No.: T614446 PubChem CID: 73777259

COA

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QUALITÄT & REINHEIT Moligand™ ?

Synonyms

Q27895916 | 2,4,6,7,8,9-HEXAHYDRO-4-((2-METHYLPHENYL)METHYL)-7-(PHENYLMETHYL)IMIDAZO(1,2-A)PYRIDO(3,4-E)PYRIMIDIN-5(1H)-ONE | 2,4,6,7,8,9-Hexahydro-4-((2-methylphenyl)methyl)-7-phenylmethyl)imidazo)(1,2-a)pyrido(3,4-e)pyrimidin-5(1H)-one | BCP14991 | NCGC

Storage

Room temperature

Spezifikationen Namen und Kennungen Dokumentation Erweiterte Daten Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

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Warum diese Qualität

Moligand™ Moligand™ für empfindliche chromatographische und analytische Workflows, die minimale Basislinieninterferenzen erfordern.

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Lagerung & Versand

Room temperature Versand . Genaue Spezifikationen finden Sie im chargenspezifischen COA.

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Qualitätsdokumente

SDS, COA, Datenblatt und Spezifikationsblatt stehen zum Download bereit. Chargenspezifische COA über Chargennummernsuche abrufbar.

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Literaturbeleg

In 0 peer-reviewten Publikationen zu Chromatographie, organischer Synthese und Kreuzkupplungsreaktionen zitiert.

Spezifikationen

Synonyme

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Namen und Kennungen

Kanonisches Lächeln

Cc1ccccc1Cn1c(=O)c2CN(CCc2n2c1=NCC2)Cc1ccccc1

InChIKey

VLULRUCCHYVXOH-UHFFFAOYSA-N

INCHI

1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3

Isomere SMILES

CC1=CC=CC=C1CN2C(=O)C3=C(CCN(C3)CC4=CC=CC=C4)N5C2=NCC5

PubChem CID

73777259

Dokumentation

📋 Sicherheitsdatenblatt (SDS)

Umfassendes Dokument zu Gefahren, Handhabung, Lagerung und Einhaltung regulatorischer Vorschriften.

<<<<<<< HEAD SDS herunterladen → ======= SDS herunterladen → >>>>>>> release248-p3

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Kurzübersicht über Produktspezifikationen und Anwendungen.

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Vollständige Qualitätsmerkmale und Akzeptanzkriterien für diese Qualität.

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Erweiterte Daten

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Klasse Imidazopyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Klasse	Imidazopyrimidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Imidazopyrimidines
Alternative Parents	Phenylmethylamines Benzylamines Toluenes Aralkylamines Hydropyrimidines Vinylogous amides Imidazolines Trialkylamines Amino acids and derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Enamines Carboximidamides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Imidazopyrimidine - Benzylamine - Phenylmethylamine - Aralkylamine - Toluene - Monocyclic benzene moiety - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Benzenoid - Vinylogous amide - 2-imidazoline - Amino acid or derivatives - Guanidine - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Enamine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as imidazopyrimidines. These are organic polycyclic compounds containing an imidazole ring fused to a pyrimidine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors	Not available
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

3D-Struktur

Zugehörige Ziele (menschlich)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)

Discover Target: CYP2B6

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

COLO 205 (50209 Activities)

Molekulargewicht	386.500 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	386.211 Da
Monoisotopic Mass	386.211 Da
Topological Polar Surface Area	39.200 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	693.000
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

TIC10 - Moligand™ , CAS No.T614446

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Dokumentation

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