HET0016 - Moligand™ , Inhibitor of CYP4F12, CAS No.H610817, Inhibitor of CYP4F12

CAS: H610817 Cat. No.: H610817 PubChem CID: 2727594
DISPONIBLE À COMMANDE
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
CHEBI:172333 | N-(4-butyl-2-methylphenyl)-N''''-hydroxyimidoformamide | N-Hydroxy-N'-(4-N-butyl-2-methylphenyl)formanidine | Bio6A6 | HMS1445D06 | J-019371 | WS-02153 | BDBM50106737 | MFCD30719692 | AKOS040733374 | N-(4-butyl-2-methylphenyl)-N'-hydroxyfor
Storage
Room temperature
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Size
Allemagne (EU)
USA*
Price
Qty
5mg
H610817-5mg
Sur commande · 8–12 semaines

991,74€

1 158,34€
Enregistrer 166,61 € (14.38%)
25mg
H610817-25mg
Sur commande · 8–12 semaines

1 488,09€

1 737,13€
Enregistrer 249,04 € (14.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
CHEBI:172333 | N-(4-butyl-2-methylphenyl)-N''''-hydroxyimidoformamide | N-Hydroxy-N'-(4-N-butyl-2-methylphenyl)formanidine | Bio6A6 | HMS1445D06 | J-019371 | WS-02153 | BDBM50106737 | MFCD30719692 | AKOS040733374 | N-(4-butyl-2-methylphenyl)-N'-hydroxyfor
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Grade
Moligand™
Type d'action
INHIBITOR
Mécanisme d'action
Inhibitor of CYP4F12
Noms et identifiants
Sourires canoniquesCCCCc1ccc(c(c1)C)N=CNO
IUPAC NameN'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide
InChIKeyLYNOGBKNFIHKLE-UHFFFAOYSA-N
INCHI1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)
Isomères SMILES CCCCC1=CC(=C(C=C1)N=CNO)C
PubChem CID 2727594

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassToluenes
Intermediate Tree Nodes Not available
Direct ParentToluenes
Alternative Parents Propargyl-type 1,3-dipolar organic compounds  Formamidines  Organopnictogen compounds  Organic oxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Toluene - Formamidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP4F12 Tbio Cytochrome P450 4F12 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP4F12 Tbio Cytochrome P450 4F12 (23 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP4F11 Tbio Cytochrome P450 4F11 (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire206.280 g/mol
XLogP33.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass206.142 Da
Monoisotopic Mass206.142 Da
Topological Polar Surface Area44.600 Ų
Heavy Atom Count15
Formal Charge0
Complexity194.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
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