CID 58059494 - ≥98% , CAS No.1350735-70-4

CAS: 1350735-70-4 Cat. No.: C1259486 PubChem CID: 58059494

CALIDAD & PUREZA ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificaciones

Especificaciones y pureza

≥98%

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

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC(C)C(=O)OC1C(OC(C1(C)O)(C#N)C2=CC=C3N2N=CN=C3N)COP(=O)(NC(C)C(=O)OC(C)C)OC4=CC=CC=C4

IUPAC Name

[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-4-hydroxy-4-methyl-2-[[[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-3-yl] 2-methylpropanoate

InChIKey

YAAQYJCOIFNMKX-CVANIGNKSA-N

INCHI

1S/C29H37N6O9P/c1-17(2)26(36)42-24-22(43-29(15-30,28(24,6)38)23-13-12-21-25(31)32-16-33-35(21)23)14-40-45(39,44-20-10-8-7-9-11-20)34-19(5)27(37)41-18(3)4/h7-13,16-19,22,24,38H,14H2,1-6H3,(H,34,39)(H2,31,32,33)/t19-,22+,24+,28+,29-,45?/m0/s1

Isómeros SMILES

C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)(C)O)OC(=O)C(C)C)OC4=CC=CC=C4

CAS alternativo

1350735-70-4

PubChem CID

58059494

Términos de entrada MeSH

(Sp)-isopropyl 2-(((3-isobutyroxy-5-(4-aminopyrrolo(1,2-f)(1,2,4)triazin-7-yl)-5-cyano-4-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)propanoate;GS 6620;GS-6620;GS6620

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 esters

• 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 esters
• Alternative Parents: Alanine and derivatives C-glycosyl compounds Pyrrolo[2,1-f][1,2,4]triazines Phosphoric diester monoamides Phenoxy compounds 1,2,4-triazines Substituted pyrroles Dicarboxylic acids and derivatives Organic phosphoramides Imidolactams Monosaccharides Tertiary alcohols Oxolanes Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Dialkyl ethers Nitriles Carbonyl compounds Primary amines Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - C-glycosyl compound - Glycosyl compound - Alanine or derivatives - Pyrrolo[2,1-f][1,2,4]triazine - Phenoxy compound - Phosphoric diester monoamide - Phosphoric acid ester - Substituted pyrrole - Triazine - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Monosaccharide - 1,2,4-triazine - Organic phosphoric acid derivative - Imidolactam - Organic phosphoric acid amide - Pyrrole - Oxolane - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Dialkyl ether - Ether - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Cyanide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 644.600 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 14
• Exact Mass: 644.236 Da
• Monoisotopic Mass: 644.236 Da
• Topological Polar Surface Area: 210.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1160.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

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

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.

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

The CAS Number is 1350735-70-4. InChIKey YAAQYJCOIFNMKX-CVANIGNKSA-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.