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 Molecular Weight: 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

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-

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

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

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Plasminogen activator inhibitor-1 inhibitor

Purity

≥98%

Product Properties

• ALogP: 6.7

Names and Identifiers

• Canonical 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
• 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)
• Isomeric 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
• Molecular Weight: 425.52

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 250 mg/mL (587.52 mM; Need ultrasonic)
• Sensitivity: Light sensitive
• Molecular Weight: 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