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

CAS: 188181-42-2 Cat. No.: E647298 분자식: C₂₇H₄₅N₃O₆ 분자량: 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

개요

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

동의어

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

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

작동 메커니즘

RNA inhibitor

순수함

≥98%

이름과 식별자

• 정식 스마일: 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
• 이성체 SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O
• 대체 CAS: 101235-34-1,188181-42-2
• PubChem CID: 6438895
• MeSH 용어: 5'-oleoyl cytarabine;5'-oleoyl cytosine arabinoside;5'-oleyl-ara-C;CP 4055;CP-4055;CP4055;ELACYT;elacytarabine
• 분자량: 507.7

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: DMSO : 125 mg/mL (246.23 mM; Need ultrasonic)
• 분자량: 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