Aleplasinin - Moligand™, ≥98% , Plasminogen activator inhibitor-1 inhibitor, CAS No.481629-87-2, Plasminogen activator inhibitor-1 inhibitor

CAS: 481629-87-2 Cat. No.: A651846 Formula: C₂₈H₂₇NO₃ Peso molecolare: 425.52 PubChem CID: 10224267

GRADE & PURITY Moligand™, ≥98%

Synonyms

Aleplasinin | Q2640993 | Aleplasinin (USAN/INN) | CHEMBL325424 | DB12635 | Aleplasinin [USAN:INN] | 1H-INDOL-3-ACETIC ACID, 1-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL)-5-(3-METHYLPHENYL)-.ALPHA.-OXO- | HSXLMAFNWCSZGP-UHFFFAOYSA-N | D08656 | PAZ-417 | 2-(1-(4-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

Aleplasinin | Q2640993 | Aleplasinin (USAN/INN) | CHEMBL325424 | DB12635 | Aleplasinin [USAN:INN] | 1H-INDOL-3-ACETIC ACID, 1-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL)-5-(3-METHYLPHENYL)-.ALPHA.-OXO- | HSXLMAFNWCSZGP-UHFFFAOYSA-N | D08656 | PAZ-417 | 2-(1-(4-

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

Aleplasinin is a potent, BBB-penetrated and selectiveSERPINE1 (PAI-1, Plasminogen activator inhibitor-1) inhibitor. Aleplasinin increases amyloid-β (Aβ) catabolism and ameliorates amyloid-related pathology. Aleplasinin improves memory deficiency. Aleplasi

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Plasminogen activator inhibitor-1 inhibitor

Purezza

≥98%

Proprietà del prodotto

ALogP

6.7

Nomi e identificatori

Pubchem Sid

528763277

Sorrisi canonici

CC1=CC(=CC=C1)C2=CC3=C(C=C2)N(C=C3C(=O)C(=O)O)CC4=CC=C(C=C4)C(C)(C)C

IUPAC Name

2-[1-[(4-tert-butylphenyl)methyl]-5-(3-methylphenyl)indol-3-yl]-2-oxoacetic acid

InChIKey

HSXLMAFNWCSZGP-UHFFFAOYSA-N

INCHI

1S/C28H27NO3/c1-18-6-5-7-20(14-18)21-10-13-25-23(15-21)24(26(30)27(31)32)17-29(25)16-19-8-11-22(12-9-19)28(2,3)4/h5-15,17H,16H2,1-4H3,(H,31,32)

Isomeri SMILES

CC1=CC(=CC=C1)C2=CC3=C(C=C2)N(C=C3C(=O)C(=O)O)CC4=CC=C(C=C4)C(C)(C)C

PubChem CID

10224267

Peso molecolare

425.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indole-3-acetic acid derivatives
• Alternative Parents: N-alkylindoles Phenylpropanes Indoles Aryl ketones Toluenes Substituted pyrroles Alpha-keto acids and derivatives Vinylogous amides Alpha-hydroxy ketones Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic oxides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole-3-acetic acid derivative - N-alkylindole - Indole - Phenylpropane - Aryl ketone - Toluene - Monocyclic benzene moiety - Alpha-keto acid - Benzenoid - Substituted pyrrole - Keto acid - Heteroaromatic compound - Vinylogous amide - Pyrrole - Alpha-hydroxy ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

SERPINE1 Tchem Plasminogen activator inhibitor-1 (498 Activities)

Discover Target: SERPINE1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : 250 mg/mL (587.52 mM; Need ultrasonic)
• Sensibilità: Light sensitive
• Peso molecolare: 425.500 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 425.199 Da
• Monoisotopic Mass: 425.199 Da
• Topological Polar Surface Area: 59.300 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 675.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1