Hydroxy ritonavir - ≥97% , CAS No.176655-56-4

CAS: 176655-56-4 Cat. No.: H651612 Formula: C₃₇H₄₈N₆O₆S₂ Peso molecolare: 736.94 PubChem CID: 71749331

GRADE & PURITY ≥97%

Synonyms

F82775 | HY-137565 | RITONAVIR METABOLITE M2 | Hydroxyritonavir | RITONAVIR IMPURITY, HYDROXYRITONAVIR- [USP IMPURITY] | 2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-13-(2-(1-hydroxy-1-methylethyl)-4-thiazolyl)-12-methyl-9-(1-methylethyl)-8,11-dioxo-3,6-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Hydroxy ritonavir is a metabolite of Ritonavir. Ritonavir is an inhibitor of HIV protease used to treat HIV infection and AIDS.

Form:Solid

Specifications

Sinonimi

F82775 | HY-137565 | RITONAVIR METABOLITE M2 | Hydroxyritonavir | RITONAVIR IMPURITY, HYDROXYRITONAVIR- [USP IMPURITY] | 2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-13-(2-(1-hydroxy-1-methylethyl)-4-thiazolyl)-12-methyl-9-(1-methylethyl)-8,11-dioxo-3,6-

Specifiche e purezza

≥97%

Meccanismi biochimici e fisiologici

Hydroxy ritonavir is a metabolite of Ritonavir. Ritonavir is an inhibitor of HIV protease used to treat HIV infection and AIDS.

Condizioni di conservazione di stoccaggio

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.

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: CC(C)C(C(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)O)NC(=O)N(C)CC4=CSC(=N4)C(C)(C)O
• IUPAC Name: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-2-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
• InChIKey: CLEDZMPJHBBTNZ-QJANCWQKSA-N
• INCHI: 1S/C37H48N6O6S2/c1-24(2)32(42-35(46)43(5)20-28-22-50-34(40-28)37(3,4)48)33(45)39-27(16-25-12-8-6-9-13-25)18-31(44)30(17-26-14-10-7-11-15-26)41-36(47)49-21-29-19-38-23-51-29/h6-15,19,22-24,27,30-32,44,48H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t27-,30-,31-,32-/m0/s1
• Isomeri SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)O)NC(=O)N(C)CC4=CSC(=N4)C(C)(C)O
• PubChem CID: 71749331
• Peso molecolare: 736.94

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-carbamoyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-carbamoyl-alpha amino acids and derivatives
• Alternative Parents: Valine and derivatives Alpha amino acid amides Amphetamines and derivatives 2,4-disubstituted thiazoles N-acyl amines Tertiary alcohols Carbamate esters Heteroaromatic compounds Ureas Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Carbonyl compounds Organopnictogen compounds Aromatic alcohols Organonitrogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Valine or derivatives - N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Fatty amide - Fatty acyl - N-acyl-amine - Benzenoid - Azole - Heteroaromatic compound - Carbamic acid ester - Tertiary alcohol - Thiazole - Carboxamide group - Carbonic acid derivative - Secondary alcohol - Secondary carboxylic acid amide - Urea - Organoheterocyclic compound - Azacycle - Alcohol - Aromatic alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at its terminal nitrogen atom.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 736.900 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 18
• Exact Mass: 736.308 Da
• Monoisotopic Mass: 736.308 Da
• Topological Polar Surface Area: 222.000 Ų
• Heavy Atom Count: 51
• Formal Charge: 0
• Complexity: 1090.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 176655-56-4, the molecular formula is C37H48N6O6S2, and the molecular weight is 736.94 g/mol. InChIKey CLEDZMPJHBBTNZ-QJANCWQKSA-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.