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

GRADE & PURITY Moligand™

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

Specifications

Sinónimos

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

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of Endothelin-converting enzyme 1

Nomes e identificadores

• Sorrisos canónicos: CCN1CCCC(C1)Nc1nc(nc2c1cc(I)cc2)C(F)(F)F
• IUPAC Name: N-(1-ethylpiperidin-3-yl)-6-iodo-2-(trifluoromethyl)quinazolin-4-amine
• InChIKey: IRWWFCJIOHCTMV-UHFFFAOYSA-N
• INCHI: 1S/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)
• SMILES isoméricas: CCN1CCCC(C1)NC2=NC(=NC3=C2C=C(C=C3)I)C(F)(F)F
• PubChem CID: 9889954

Alvos associados (humanos)

ECE1 Tchem Endothelin-converting enzyme 1 (1 Activities)

Discover Target: ECE1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propriedades químicas e físicas

• Peso molecular: 450.240 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 450.053 Da
• Monoisotopic Mass: 450.053 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 423.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

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.