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

CAS: 1204975-42-7 Cat. No.: L650147 分子式: C25H32N6O 分子量: 432.56 PubChem CID: 45100669
注文可能
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
★
Size
USA
ドイツ (EU)*
Price
Qty
5mg
L650147-5mg
受注生産 · 8~12週間
$1,000.90
10mg
L650147-10mg
受注生産 · 8~12週間
$1,700.90
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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.

概要

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

同義語
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 |
仕様と純度
≥98%
生化学的・生理学的メカニズム
LEQ506 is a second-generation inhibitor of smoothened ( Smo ) with IC 50 s of 2 and 4 nM in human and mouse, respectively.
保管条件
Store at -20°C
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
アクションタイプ
ANTAGONIST
作用メカニズム
Smoothened homolog antagonist
純度
≥98%
製品の性質
ALogP2.9
名前と識別子
カノニカル・スマイルCC1CN(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
異性体SMILES C[C@@H]1CN(CCN1C2=NC=C(N=C2)C(C)(C)O)C3=NN=C(C(=C3C)C)CC4=CC=CC=C4
代替CAS番号 1204975-42-7
PubChem CID 45100669
MeSH用語 NVP-LEQ506
分子量 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
分類Diazinanes
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
説明This 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
3 D構造
インタラクティブ化学構造モデル





作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
溶解度DMSO : ≥ 100 mg/mL (231.18 mM)
分子量432.600 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
ソリューション計算機
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