Name: NITD 008 - ≥97%(HPLC) , CAS No.1044589-82-3
SKU: N286837
Availability: InStock

NITD 008 - ≥97%(HPLC) , CAS No.1044589-82-3

CAS: 1044589-82-3 Cat. No.: N286837 Formule: C₁₃H₁₄N₄O₄ Poids moléculaire: 290.27

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NITD 008 - ≥97%(HPLC) CAS No(1044589-82-3) by Aladdin Scientific

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DISPONIBLE À COMMANDE

GRADE & PURITY ≥97%(HPLC)

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications Noms et identifiants Documentation Advanced Data Taxonomic Classification Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Calculateurs de solution Avis

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Why this grade

≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes

Spécifications et pureté

≥97%(HPLC)

Mécanismes biochimiques et physiologiques

Selective flavivirus inhibitor. Adenosine analog. Inhibits dengue virus (EC50= 0.64 μM), hepatitis C virus and cellular entry of Zika virus. Reduces increases of cytokines and NS1 and prevents death in dengue-infected mice. Activein vivo. Orally bioavaila

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥97%(HPLC)

Noms et identifiants

Sourires canoniques	C#CC1(C(C(OC1N2C=CC3=C(N=CN=C32)N)CO)O)O
IUPAC Name	(2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol
InChIKey	NKRAIOQPSBRMOV-NRMKKVEVSA-N
INCHI	1S/C13H14N4O4/c1-2-13(20)9(19)8(5-18)21-12(13)17-4-3-7-10(14)15-6-16-11(7)17/h1,3-4,6,8-9,12,18-20H,5H2,(H2,14,15,16)/t8-,9-,12-,13-/m1/s1
Isomères SMILES	C#C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC3=C(N=CN=C32)N)CO)O)O
Poids moléculaire	290.27
Reaxy-Rn	29225462
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29225462&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Nucleosides, nucleotides, and analogues
  - Classe Pyrrolopyrimidine nucleosides and nucleotides

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Classe	Pyrrolopyrimidine nucleosides and nucleotides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolopyrimidine nucleosides and nucleotides
Alternative Parents	Glycosylamines Pentoses Pyrrolo[2,3-d]pyrimidines Aminopyrimidines and derivatives Ynones Substituted pyrroles Imidolactams Tertiary alcohols Heteroaromatic compounds Oxolanes Secondary alcohols Acetylides Oxacyclic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives Primary alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolopyrimidine ribonucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Aminopyrimidine - Monosaccharide - Substituted pyrrole - Ynone - Imidolactam - Pyrimidine - Heteroaromatic compound - Pyrrole - Tertiary alcohol - Oxolane - Secondary alcohol - Acetylide - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Primary amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolopyrimidine nucleosides and nucleotides. These are nucleoside derivatives containing a ribose derivative which is n-glycosylated to a pyrrolopyrimidine. Also called deazapurine nucleosides, they are analogs of purine nucleosides with the N atom of the purine being replaced by a C atom at position 7.
External Descriptors	Not available
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

Structure 3D

Cibles associées (humaines)

Huh-7 (12904 Activities)

Solubilité	Solvent:DMSO, Max Conc. mg/mL: 5.81, Max Conc. mM: 20
Poids moléculaire	290.270 g/mol
XLogP3	-1.400
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	290.102 Da
Monoisotopic Mass	290.102 Da
Topological Polar Surface Area	127.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	455.000
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