LEQ506 - ≥98% , Smoothened homolog antagonist, CAS No.1204975-42-7, Smoothened homolog antagonist

CAS: 1204975-42-7 Cat. No.: L650147 Formule: C25H32N6O Poids moléculaire: 432.56 PubChem CID: 45100669
DISPONIBLE À COMMANDE
GRADE & PURITY ≥98%
Synonyms
2-PYRAZINEMETHANOL, 5-((2R)-4-(4,5-DIMETHYL-6-(PHENYLMETHYL)-3-PYRIDAZINYL)-2-METHYL-1-PIPERAZINYL)-.ALPHA.,.ALPHA.-DIMETHYL- | 6SJX1T5HJD | 2-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol | NVP-LEQ506 |
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
USA
Allemagne (EU)*
Price
Qty
5mg
L650147-5mg
Sur commande · 8–12 semaines
1 000,90$US
10mg
L650147-10mg
Sur commande · 8–12 semaines
1 700,90$US
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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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.

Vue d’ensemble

LEQ506 is a second-generation inhibitor of smoothened ( Smo ) with IC 50 s of 2 and 4 nM in human and mouse, respectively.

In Vitro

LEQ506 is a second-generation inhibitor of smoothened (Smo) with IC 50 s of 2 and 4 nM in human and mouse, respectively. LEQ506 inhibits Hedgehog (Hh) signaling in a human cell line (HEPM) as measured by the amount of Gli mRNA with an IC 50 ~6-fold lower than that of Compound 2. LEQ506 is an efficacious compound by consistently decreasing Gli1 mRNA by about 70 to 80%. LEQ506 shows a tendency to preferentially inhibit Gli1 rather than Ptch1 mRNA. LEQ506 (at 1%) is also an efficacious compound with an inhibition of 80 to 90% for Gli1 and of 60 to 70% for Ptch1. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Cell Assay

DAOY cells are serum starved 16 h before experiments and subsequently incubated for 24 h with sonic Hedgehog (SHH) (50 nM) and LEQ506 at different concentrations . Cells are then washed twice with PBS and stored at -80°C until RNA isolation. Total RNA is isolated using the RNeasy Mini Kit. The amount and quality of extracted RNA are determined using the 2100 Bioanalyzer. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 2 nM (human smo), 4 nM (mouse smo)

Specifications

Synonymes
2-PYRAZINEMETHANOL, 5-((2R)-4-(4,5-DIMETHYL-6-(PHENYLMETHYL)-3-PYRIDAZINYL)-2-METHYL-1-PIPERAZINYL)-.ALPHA.,.ALPHA.-DIMETHYL- | 6SJX1T5HJD | 2-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol | NVP-LEQ506 |
Spécifications et pureté
≥98%
Mécanismes biochimiques et physiologiques
LEQ506 is a second-generation inhibitor of smoothened ( Smo ) with IC 50 s of 2 and 4 nM in human and mouse, respectively.
Conditions de stockage de stockage
Store at -20°C
Expédié en
Ice chest + Ice pads
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Type d'action
ANTAGONIST
Mécanisme d'action
Smoothened homolog antagonist
Pureté
≥98%
Propriétés du produit
ALogP2.9
Noms et identifiants
Sourires canoniquesCC1CN(CCN1C2=NC=C(N=C2)C(C)(C)O)C3=NN=C(C(=C3C)C)CC4=CC=CC=C4
IUPAC Name2-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
InChIKeyPOERAARDVFVDLO-QGZVFWFLSA-N
INCHI1S/C25H32N6O/c1-17-16-30(11-12-31(17)23-15-26-22(14-27-23)25(4,5)32)24-19(3)18(2)21(28-29-24)13-20-9-7-6-8-10-20/h6-10,14-15,17,32H,11-13,16H2,1-5H3/t17-/m1/s1
Isomères SMILES C[C@@H]1CN(CCN1C2=NC=C(N=C2)C(C)(C)O)C3=NN=C(C(=C3C)C)CC4=CC=CC=C4
CAS alternatif 1204975-42-7
PubChem CID 45100669
Termes d'entrée MeSH NVP-LEQ506
Poids moléculaire 432.56

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
SuperclassOrganoheterocyclic compounds
ClasseDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentN-arylpiperazines
Alternative Parents Dialkylarylamines  Aminopyridazines  Aminopyrazines  Imidolactams  Benzene and substituted derivatives  Tertiary alcohols  Heteroaromatic compounds  Azacyclic compounds  Hydrocarbon derivatives  Aromatic alcohols  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents N-arylpiperazine - Dialkylarylamine - Aminopyrazine - Aminopyridazine - Monocyclic benzene moiety - Pyrazine - Pyridazine - Benzenoid - Imidolactam - Tertiary alcohol - Heteroaromatic compound - Tertiary amine - Azacycle - Aromatic alcohol - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





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
SolubilitéDMSO : ≥ 100 mg/mL (231.18 mM)
Poids moléculaire432.600 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass432.264 Da
Monoisotopic Mass432.264 Da
Topological Polar Surface Area78.300 Ų
Heavy Atom Count32
Formal Charge0
Complexity597.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
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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