Pamicogrel - ≥99% , CAS No.101001-34-7

CAS: 101001-34-7 Cat. No.: P412570 Summenformel: C₂₅H₂₄N₂O₄S Molekulargewicht: 448.53 PubChem CID: 65870

QUALITÄT & REINHEIT ≥99%

Synonyms

D01090 | TO-192 | 1H-Pyrrole-1-acetic acid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-, ethyl ester;1H-Pyrrole-1-acetic acid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-, ethyl ester | 1H-Pyrrole-1-aceticacid,2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-,ethyl e

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

Pamicogrel Pamicogrel (KBT3022) is an inhibitor of cyclooxygenase (COX) with platelet anti-aggregatory properties.

Targets

COX

Spezifikationen

Synonyme

D01090 | TO-192 | 1H-Pyrrole-1-acetic acid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-, ethyl ester;1H-Pyrrole-1-acetic acid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-, ethyl ester | 1H-Pyrrole-1-aceticacid,2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-,ethyl e

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

Pamicogrel (KBT3022) is an inhibitor of cyclooxygenase (COX) with platelet anti-aggregatory properties.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Produkteigenschaften

ALogP

5.581

Rotationsfähige Bindung

9

Namen und Kennungen

Pubchem Sid

504754011

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754011

Kanonisches Lächeln

CCOC(=O)CN1C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

IUPAC Name

ethyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate

InChIKey

ISCHOARKJADAKJ-UHFFFAOYSA-N

INCHI

1S/C25H24N2O4S/c1-4-31-22(28)16-27-15-5-6-21(27)25-26-23(17-7-11-19(29-2)12-8-17)24(32-25)18-9-13-20(30-3)14-10-18/h5-15H,4,16H2,1-3H3

Isomere SMILES

CCOC(=O)CN1C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

PubChem CID

65870

Molekulargewicht

448.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles 2,4,5-trisubstituted thiazoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Azole - Heteroaromatic compound - Pyrrole - Thiazole - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Zugehörige Ziele (nicht menschlich)

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 45 mg/mL (100.32 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/ml) Maximale Löslichkeit: 45
• DMSO (mM) Maximale Löslichkeit: 100.327737275099
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 448.500 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 448.146 Da
• Monoisotopic Mass: 448.146 Da
• Topological Polar Surface Area: 90.800 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 592.000
• 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