PD159790 - Moligand™ , Inhibitor of Endothelin-converting enzyme 1, CAS No.179598-53-9, Inhibitor of Endothelin-converting enzyme 1

CAS: 179598-53-9 Cat. No.: P612657 PubChem CID: 9889954
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
PD159790 | PD-159790 | AKOS040749157 | 4-Quinazolinamine, N-(1-ethyl-3-piperidinyl)-6-iodo-2-(trifluoromethyl)- | IRWWFCJIOHCTMV-UHFFFAOYSA-N | Q27088269 | UNII-3SY30OEV1U | 3SY30OEV1U | GTPL8617 | N-(1-ethylpiperidin-3-yl)-6-iodo-2-(trifluoromethyl)quina
Storage
Room temperature
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Size
USA
Allemagne (EU)*
Price
Qty
5mg
P612657-5mg
Sur commande · 8–12 semaines
799,90$US
25mg
P612657-25mg
Sur commande · 8–12 semaines
1 199,90$US
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.

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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.

Specifications

Synonymes
PD159790 | PD-159790 | AKOS040749157 | 4-Quinazolinamine, N-(1-ethyl-3-piperidinyl)-6-iodo-2-(trifluoromethyl)- | IRWWFCJIOHCTMV-UHFFFAOYSA-N | Q27088269 | UNII-3SY30OEV1U | 3SY30OEV1U | GTPL8617 | N-(1-ethylpiperidin-3-yl)-6-iodo-2-(trifluoromethyl)quina
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Grade
Moligand™
Type d'action
INHIBITOR
Mécanisme d'action
Inhibitor of Endothelin-converting enzyme 1
Noms et identifiants
Sourires canoniquesCCN1CCCC(C1)Nc1nc(nc2c1cc(I)cc2)C(F)(F)F
IUPAC NameN-(1-ethylpiperidin-3-yl)-6-iodo-2-(trifluoromethyl)quinazolin-4-amine
InChIKeyIRWWFCJIOHCTMV-UHFFFAOYSA-N
INCHI1S/C16H18F3IN4/c1-2-24-7-3-4-11(9-24)21-14-12-8-10(20)5-6-13(12)22-15(23-14)16(17,18)19/h5-6,8,11H,2-4,7,9H2,1H3,(H,21,22,23)
Isomères SMILES CCN1CCCC(C1)NC2=NC(=NC3=C2C=C(C=C3)I)C(F)(F)F
PubChem CID 9889954

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

Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
ECE1 Tchem Endothelin-converting enzyme 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire450.240 g/mol
XLogP34.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass450.053 Da
Monoisotopic Mass450.053 Da
Topological Polar Surface Area41.100 Ų
Heavy Atom Count24
Formal Charge0
Complexity423.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
Avis

Avis des clients

Foire aux questions

What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 179598-53-9. InChIKey IRWWFCJIOHCTMV-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

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