Elacytarabine - ≥98% , RNA inhibitor, CAS No.188181-42-2, RNA inhibitor

CAS: 188181-42-2 Cat. No.: E647298 分子式: C₂₇H₄₅N₃O₆ 分子量: 507.7 PubChem CID: 6438895

GRADE & PURITY ≥98%

Synonyms

Elacytarabine | 2(1H)-PYRIMIDINONE, 4-AMINO-1-(5-O-((9E)-1-OXO-9-OCTADECENYL)-.BETA.-D-ARABINOFURANOSYL)- | DTXSID50183615 | HY-14941 | Q27289866 | ELACYTARABINE [USAN] | MFCD00153921 | ELACYT | Elacytarabine (USAN/INN) | EX-A3127 | [(2R,3S,4S,5R)-5-(4-am

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Elacytarabine (CP 4055) is a lipid-conjugated derivative of the nucleoside analog cytarabine. Elacytarabine (CP 4055) is an antineoplastic agent with cytotoxicity in solid tumors.

Form:Solid

Specifications

同義語

Elacytarabine | 2(1H)-PYRIMIDINONE, 4-AMINO-1-(5-O-((9E)-1-OXO-9-OCTADECENYL)-.BETA.-D-ARABINOFURANOSYL)- | DTXSID50183615 | HY-14941 | Q27289866 | ELACYTARABINE [USAN] | MFCD00153921 | ELACYT | Elacytarabine (USAN/INN) | EX-A3127 | [(2R,3S,4S,5R)-5-(4-am

仕様と純度

≥98%

生化学的・生理学的メカニズム

Elacytarabine (CP 4055) is a lipid-conjugated derivative of the nucleoside analog cytarabine. Elacytarabine (CP 4055) is an antineoplastic agent with cytotoxicity in solid tumors.

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。

アクションタイプ

INHIBITOR

作用メカニズム

RNA inhibitor

純度

≥98%

名前と識別子

• カノニカル・スマイル: CCCCCCCCC=CCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O
• IUPAC Name: [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (E)-octadec-9-enoate
• InChIKey: FLFGNMFWNBOBGE-FNNZEKJRSA-N
• INCHI: 1S/C27H45N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)35-20-21-24(32)25(33)26(36-21)30-19-18-22(28)29-27(30)34/h9-10,18-19,21,24-26,32-33H,2-8,11-17,20H2,1H3,(H2,28,29,34)/b10-9+/t21-,24-,25+,26-/m1/s1
• 異性体SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O
• 代替CAS番号: 101235-34-1,188181-42-2
• PubChem CID: 6438895
• MeSH用語: 5'-oleoyl cytarabine;5'-oleoyl cytosine arabinoside;5'-oleyl-ara-C;CP 4055;CP-4055;CP4055;ELACYT;elacytarabine
• 分子量: 507.7

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 Aminopyrimidines and derivatives Pyrimidones Fatty acid esters Hydropyrimidines Imidolactams Tetrahydrofurans Heteroaromatic compounds 1,2-diols Amino acids and derivatives Secondary alcohols Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Primary amines Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Aminopyrimidine - Fatty acid ester - Pyrimidone - Hydropyrimidine - Monosaccharide - Fatty acyl - Imidolactam - Pyrimidine - Heteroaromatic compound - Tetrahydrofuran - 1,2-diol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Alcohol - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Primary amine - Organooxygen compound - 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

• 溶解度: DMSO : 125 mg/mL (246.23 mM; Need ultrasonic)
• 分子量: 507.700 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 19
• Exact Mass: 507.331 Da
• Monoisotopic Mass: 507.331 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 754.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1