VH 101, phenol - ≥98%(HPLC) , CAS No.2306193-99-5

CAS: 2306193-99-5 Cat. No.: V288712 分子式: C₂₆H₃₃FN₄O₅S 分子量: 532.63 EC番号: 174-799-0 PubChem CID: 137628614

GRADE & PURITY ≥98%(HPLC)

Synonyms

VHL ligand 3 | E3 ligase Ligand 19 | VH032-cyclopropane-F | (2S,4R)-1-((S)-2-(1-Fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(2-hydroxy-4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

230

Specifications

同義語

VHL ligand 3 | E3 ligase Ligand 19 | VH032-cyclopropane-F | (2S,4R)-1-((S)-2-(1-Fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(2-hydroxy-4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

仕様と純度

≥98%(HPLC)

生化学的・生理学的メカニズム

E3 ligase ligands with terminal hydroxyl groups are integrated and can bind to the target protein ligands. Part of protac R & D is part of the functionalized tool molecule.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

528767637

カノニカル・スマイル

CC1=C(SC=N1)C2=CC(=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)F)O)O

IUPAC Name

(2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

InChIKey

OKBLHQUBMCCFKE-LVCYWYKZSA-N

INCHI

1S/C26H33FN4O5S/c1-14-20(37-13-29-14)15-5-6-16(19(33)9-15)11-28-22(34)18-10-17(32)12-31(18)23(35)21(25(2,3)4)30-24(36)26(27)7-8-26/h5-6,9,13,17-18,21,32-33H,7-8,10-12H2,1-4H3,(H,28,34)(H,30,36)/t17-,18+,21-/m1/s1

PubChem CID

137628614

分子量

532.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Valine and derivatives Proline and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Pyrrolidinecarboxamides N-acylpyrrolidines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Cyclopropanecarboxylic acids and derivatives Benzene and substituted derivatives Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - Valine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Cyclopropanecarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Pyrrolidine - Azole - Secondary alcohol - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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

化学的性質と物理的性質

• 分子量: 532.600 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 532.216 Da
• Monoisotopic Mass: 532.216 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 882.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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