Isocytidine - Moligand™, ≥98% , CAS No.489-59-8

CAS: 489-59-8 Cat. No.: I340263 分子式: C₉H₁₃N₃O₅ 分子量: 243.22 PubChem CID: 65031

GRADE & PURITY Moligand™, ≥98%

Synonyms

4(1H)-Pyrimidinone, 2-amino-1-beta-D-ribofuranosyl- | SCHEMBL2779073 | 1-(2-Amino-4-oxo-1(4H)-pyrimidinyl)-1-deoxy-beta-D-ribofuranose | MFCD25542467 | 2-Amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-4(1H)-one | F127

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

2-Amino-1-β-D-ribofuranosyl-4(1H)-pyrimidinone is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, et.

Specifications

同義語

4(1H)-Pyrimidinone, 2-amino-1-beta-D-ribofuranosyl- | SCHEMBL2779073 | 1-(2-Amino-4-oxo-1(4H)-pyrimidinyl)-1-deoxy-beta-D-ribofuranose | MFCD25542467 | 2-Amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-4(1H)-one | F127

仕様と純度

Moligand™, ≥98%

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。

等級

Moligand™

純度

≥98%

名前と識別子

カノニカル・スマイル

C1=CN(C(=NC1=O)N)C2C(C(C(O2)CO)O)O

IUPAC Name

2-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one

InChIKey

RGNOTKMIMZMNRX-XVFCMESISA-N

INCHI

1S/C9H13N3O5/c10-9-11-5(14)1-2-12(9)8-7(16)6(15)4(3-13)17-8/h1-2,4,6-8,13,15-16H,3H2,(H2,10,11,14)/t4-,6-,7-,8-/m1/s1

異性体SMILES

C1=CN(C(=NC1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

PubChem CID

65031

分子量

243.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • 分類 Pyrimidine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 分類: Pyrimidine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine nucleosides
• Alternative Parents: Glycosylamines Pentoses Pyrimidones Aminopyrimidines and derivatives Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Primary amines Primary alcohols Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Monosaccharide - Pyrimidine - Vinylogous amide - Tetrahydrofuran - Heteroaromatic compound - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Organopnictogen compound - Organic oxygen compound - Primary amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrimidine nucleosides. These are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety.
• 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: 243.220 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 243.086 Da
• Monoisotopic Mass: 243.086 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 383.000
• 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