PMCDG dipivoxil , DNA polymerase/reverse transcriptase inhibitor, CAS No.441785-26-8, DNA polymerase/reverse transcriptase inhibitor

CAS: 441785-26-8 Cat. No.: P671019 Molecular Weight: 527.5 PubChem CID: 6480442
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Synonyms
PMCDG dipivoxil | SCHEMBL4270816 | UNII-S9I9P4J8IU | 9-(1-(PHOSPHONOMETHOXYCYCLOPROPYL)METHYL)-6-DEOXYGUANINE DIPIVOXIL | LB 80380 | DTXSID90196062 | AN-380 | PROPANOIC ACID, 2,2-DIMETHYL-, 1,1'-(((((1-((2-AMINO-9H-PURIN-9-YL)METHYL)CYCLOPROPYL)OXY)METHYL
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
P671019-1mg
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$999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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

Synonyms
PMCDG dipivoxil | SCHEMBL4270816 | UNII-S9I9P4J8IU | 9-(1-(PHOSPHONOMETHOXYCYCLOPROPYL)METHYL)-6-DEOXYGUANINE DIPIVOXIL | LB 80380 | DTXSID90196062 | AN-380 | PROPANOIC ACID, 2, 2-DIMETHYL-, 1, 1'-(((((1-((2-AMINO-9H-PURIN-9-YL)METHYL)CYCLOPROPYL)OXY)METHYL
Storage
Room temperature
Action Type
DISRUPTING AGENT
Mechanism of action
DNA polymerase/reverse transcriptase inhibitor
Product Properties
ALogP2
Names and Identifiers
Canonical SmilesCC(C)(C)C(=O)OCOP(=O)(COC1(CC1)CN2C=NC3=CN=C(N=C32)N)OCOC(=O)C(C)(C)C
IUPAC Name[[1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
InChIKeyJLKJXDOWBVVABZ-UHFFFAOYSA-N
INCHI1S/C22H34N5O8P/c1-20(2,3)17(28)31-12-34-36(30,35-13-32-18(29)21(4,5)6)14-33-22(7-8-22)10-27-11-25-15-9-24-19(23)26-16(15)27/h9,11H,7-8,10,12-14H2,1-6H3,(H2,23,24,26)
Isomeric SMILES CC(C)(C)C(=O)OCOP(=O)(COC1(CC1)CN2C=NC3=CN=C(N=C32)N)OCOC(=O)C(C)(C)C
PubChem CID 6480442
Molecular Weight 527.5

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassImidazopyrimidines
SubclassPurines and purine derivatives
Intermediate Tree Nodes Not available
Direct ParentPurines and purine derivatives
Alternative Parents Dialkyl alkylphosphonates  Aminopyrimidines and derivatives  Phosphonic acid esters  N-substituted imidazoles  Dicarboxylic acids and derivatives  Heteroaromatic compounds  Carboxylic acid esters  Amino acids and derivatives  Azacyclic compounds  Primary amines  Organophosphorus compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Purine - Aminopyrimidine - Dialkyl alkylphosphonate - Phosphonic acid diester - Dicarboxylic acid or derivatives - Pyrimidine - Phosphonic acid ester - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Organophosphonic acid derivative - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organophosphorus compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight527.500 g/mol
XLogP32.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Exact Mass527.215 Da
Monoisotopic Mass527.215 Da
Topological Polar Surface Area167.000 Ų
Heavy Atom Count36
Formal Charge0
Complexity805.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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