Name: Acelarin (NUC-1031) - ≥99% , CAS No.840506-29-8
SKU: A414443
Availability: InStock

Acelarin (NUC-1031) - ≥99% , CAS No.840506-29-8

CAS: 840506-29-8 Cat. No.: A414443 Formula: C₂₅H₂₇F₂N₄O₈P Peso molecolare: 580.47

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Acelarin (NUC-1031) - ≥99% CAS No(840506-29-8) by Aladdin Scientific

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Disponibile su ordine

GRADE & PURITY ≥99%

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica Specifications Proprietà del prodotto Nomi e identificatori Documentazione Advanced Data Taxonomic Classification Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Calcolatori di soluzioni Recensioni

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Why this grade

≥99% 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.

Panoramica

Information

Acelarin (NUC-1031) Acelarin (NUC-1031, Fosgemcitabine palabenamide, CPF-31, MTL-007, GTPL7389), a prodrug based on an aryloxy phosphoramidate derivative of gemcitabine, is a DNA synthesis inhibitor with EC50 of 0.2 nM.

Targets

DNA synthesis (Cell-free assay) 0.2 nM(EC50)

In vitro

NUC-1031 is a gemcitabine phosphoramidate prodrug with potent cytostatic activity in a range of different tumor cell lines. Importantly, compared with gemcitabine, NUC-1031 activation is significantly less dependent on deoxycytidine kinase and on nucleoside transporters, and it is resistant to cytidine deaminase-mediated degradation.

In vivo

NUC-1031 shows a significant reduction in tumor volumes in vivo in pancreatic cancer xenografts.

Cell Research(from reference)

Cell lines：Murine leukemia L1210, human lymphocyte CEM

Concentrations：1 μM

Incubation Time：1 h

Specifications

Sinonimi

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

Acelarin (NUC-1031, Fosgemcitabine palabenamide, CPF-31, MTL-007, GTPL7389), a prodrug based on an aryloxy phosphoramidate derivative of gemcitabine, is a DNA synthesis inhibitor with EC50 of 0.2 nM.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥99%

Proprietà del prodotto

ALogP

1.69

hba_count

Conteggio HBD

Legame rotabile

Nomi e identificatori

Pubchem Sid

504766107

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766107

Sorrisi canonici

CC(C(=O)OCC1=CC=CC=C1)NP(=O)(OCC2C(C(C(O2)N3C=CC(=NC3=O)N)(F)F)O)OC4=CC=CC=C4

IUPAC Name

benzyl (2S)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

InChIKey

NHTKGYOMICWFQZ-KKQYNPQSSA-N

INCHI

1S/C25H27F2N4O8P/c1-16(22(33)36-14-17-8-4-2-5-9-17)30-40(35,39-18-10-6-3-7-11-18)37-15-19-21(32)25(26,27)23(38-19)31-13-12-20(28)29-24(31)34/h2-13,16,19,21,23,32H,14-15H2,1H3,(H,30,35)(H2,28,29,34)/t16-,19+,21+,23+,40?/m0/s1

Isomeri SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)NP(=O)(OC[C@@H]2[C@H](C([C@@H](O2)N3C=CC(=NC3=O)N)(F)F)O)OC4=CC=CC=C4

Peso molecolare

580.47

Reaxy-Rn

41450278

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41450278&ln=

Documentazione

📋 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 Pyrimidine nucleosides
    - Subclass Pyrimidine 2'-deoxyribonucleosides

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Classe	Pyrimidine nucleosides
Subclass	Pyrimidine 2'-deoxyribonucleosides
Intermediate Tree Nodes	Not available
Direct Parent	Pyrimidine 2'-deoxyribonucleosides
Alternative Parents	Alpha amino acid esters Alanine and derivatives Benzyloxycarbonyls Phosphoric diester monoamides Phenoxy compounds Pyrimidones Aminopyrimidines and derivatives Hydropyrimidines Organic phosphoramides Imidolactams Oxolanes Heteroaromatic compounds Fluorohydrins Carboxylic acid esters Secondary alcohols Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organofluorides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Primary amines Organic oxides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine 2'-deoxyribonucleoside - Alpha-amino acid ester - Alanine or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenoxy compound - Phosphoric diester monoamide - Aminopyrimidine - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Imidolactam - Organic phosphoric acid amide - Organic phosphoric acid derivative - Benzenoid - Phosphoric acid ester - Pyrimidine - Heteroaromatic compound - Oxolane - Halohydrin - Amino acid or derivatives - Fluorohydrin - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Oxacycle - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Descrizione	This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.
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

Struttura 3D

Obiettivi associati (umani)

Homo sapiens (32628 Activities)

Lot Number	Certificate Type	Data	Oggetto
H2229044	Certificate of Analysis	Jun 09, 2025	A414443
H2229047	Certificate of Analysis	Jun 09, 2025	A414443
H2229048	Certificate of Analysis	Jun 09, 2025	A414443
H2229049	Certificate of Analysis	Jun 09, 2025	A414443
L2419366	Certificate of Analysis	Jun 22, 2022	A414443

Solubilità	Solubility (25°C) In vitro DMSO: 100 mg/mL (172.27 mM); Ethanol: 20 mg/mL (34.45 mM); Water: Insoluble;
DMSO (mg/mL) Solubilità massima	100
DMSO (mM) Solubilità massima	172.274191603356
Acqua (mg/mL) Solubilità massima	＜1
Peso molecolare	580.500 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	12
Exact Mass	580.153 Da
Monoisotopic Mass	580.153 Da
Topological Polar Surface Area	162.000 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	1020.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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