Indinavir sulfate - ≥98% , Human immunodeficiency virus type 1 protease inhibitor, CAS No.157810-81-6, Human immunodeficiency virus type 1 protease inhibitor

CAS: 157810-81-6 Cat. No.: I303016 Peso molecular: 711.87 Número EC: 682-418-9 PubChem CID: 5462355

GRADE & PURITY ≥98%

Synonyms

Indinavir, Sulfate (1:1) | Indinivar sulphate | L-735524 | MLS006010223 | Crixivan | CCG-100982 | D-erythro-Pentonamide, 2,3,5-trideoxy-N-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-5-[(2S)-2-[[(1,1-dimethylethyl)amino]carbonyl]-4-(3-pyridinylmethyl)-1-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Indinavir, Sulfate (1:1) | Indinivar sulphate | L-735524 | MLS006010223 | Crixivan | CCG-100982 | D-erythro-Pentonamide, 2, 3, 5-trideoxy-N-[(1S, 2R)-2, 3-dihydro-2-hydroxy-1H-inden-1-yl]-5-[(2S)-2-[[(1, 1-dimethylethyl)amino]carbonyl]-4-(3-pyridinylmethyl)-1-

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Hydroxyaminopentane amide antiretroviral protease inhibitor. Inhibits HIV-1 protease and suppresses HIV replication in vivo. Induces glutathione export from astrocytes. Orally active.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

Human immunodeficiency virus type 1 protease inhibitor

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504763836
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763836
• Sonrisas canónicas: CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.OS(=O)(=O)O
• IUPAC Name: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide;sulfuric acid
• InChIKey: NUBQKPWHXMGDLP-BDEHJDMKSA-N
• INCHI: 1S/C36H47N5O4.H2O4S/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/t28-,29+,31+,32-,33+;/m1./s1
• Isómeros SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.OS(=O)(=O)O
• PubChem CID: 5462355
• Peso molecular: 711.87

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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 amides
• Alternative Parents: Indanes Piperazine carboxamides Aralkylamines N-alkylpiperazines Organic sulfuric acids N-acyl amines Benzene and substituted derivatives Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides 1,2-aminoalcohols Trialkylamines Secondary alcohols Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Indane - Piperazine-2-carboxamide - Sulfuric acid - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Fatty amide - N-acyl-amine - Piperazine - Pyridine - Benzenoid - Fatty acyl - Heteroaromatic compound - Organic sulfuric acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• External Descriptors: azaheterocycle sulfate salt

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

Objetivos asociados (humanos)

NR1I2 Tchem Pregnane X receptor (6667 Activities)

Discover Target: NR1I2

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Caco-2 (12174 Activities)

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CEM-SS (2428 Activities)

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MT4 (17854 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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Objetivos asociados (no humanos)

pol Human immunodeficiency virus type 1 protease (9113 Activities)

Discover Target: pol

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Human T-cell leukemia virus type I (114 Activities)

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HIV-1 M:B_Lai (5 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de inflamación (°C): 484.7℃
• Punto de ebullición (°C): 877.9℃ at 760 mmHg
• Peso molecular: 711.900 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 12
• Exact Mass: 711.33 Da
• Monoisotopic Mass: 711.33 Da
• Topological Polar Surface Area: 201.000 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 1030.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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: 2

XLogP3