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Chemistry
Heterocyclic Building Blocks
Imidazoles
amino-purin
2-Amino-6-methoxypurine
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Imidazoles
Purines Amines Ethers
amino-purin
7H-purin-2-amine

[ CAS No. 20535-83-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 20535-83-5
Chemical Structure| 20535-83-5
Chemical Structure| 20535-83-5
Structure of 20535-83-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 20535-83-5 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
Alternatived Products of [ 20535-83-5 ]
Product Citations

Product Details of [ 20535-83-5 ]

CAS No. :20535-83-5 MDL No. :MFCD00133009
Formula : C6H7N5O Boiling Point : -
Linear Structure Formula :- InChI Key :BXJHWYVXLGLDMZ-UHFFFAOYSA-N
M.W : 165.15 Pubchem ID :65275
Synonyms :

Calculated chemistry of [ 20535-83-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.17
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 42.58
TPSA : 89.71 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.78
Log Po/w (XLOGP3) : 0.06
Log Po/w (WLOGP) : -0.05
Log Po/w (MLOGP) : -0.58
Log Po/w (SILICOS-IT) : 0.34
Consensus Log Po/w : 0.11

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.39
Solubility : 6.72 mg/ml ; 0.0407 mol/l
Class : Very soluble
Log S (Ali) : -1.5
Solubility : 5.25 mg/ml ; 0.0318 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.93
Solubility : 1.96 mg/ml ; 0.0119 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.19

Safety of [ 20535-83-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501 UN#:N/A
Hazard Statements:H302+H312+H332-H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 20535-83-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 20535-83-5 ]

[ 20535-83-5 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 20535-83-5 ]
  • [ 144490-03-9 ]
  • Acetic acid (2S,3S,4S,5S)-4-acetoxy-5-acetoxymethyl-2-(2-amino-6-methoxy-purin-9-yl)-tetrahydro-furan-3-yl ester [ No CAS ]
  • [ 852553-83-4 ]
YieldReaction ConditionsOperation in experiment
With benzenesulfonamide; trimethylsilyl trifluoromethanesulfonate In acetonitrile at 75℃;
Reference： [1]Herbal, Karim; Kitteringham, John; Voyle, Martyn; Whitehead, Andrew J. [Tetrahedron Letters, 2005, vol. 46, # 17, p. 2961 - 2964]
  • 2
  • [ 124-41-4 ]
  • [ 10310-21-1 ]
  • [ 20535-83-5 ]
Reference： [1]Journal of the Korean Chemical Society,2010,vol. 54,p. 429 - 436
  • 3
  • [ 20535-83-5 ]
  • [ 1198-46-5 ]
Reference： [1]Journal of the Korean Chemical Society,2010,vol. 54,p. 429 - 436
  • 4
  • [ 20535-83-5 ]
  • [ 150972-65-9 ]
Reference： [1]Journal of the Korean Chemical Society,2010,vol. 54,p. 429 - 436
  • 5
  • [ 20535-83-5 ]
  • [ 951657-61-7 ]
Reference： [1]Journal of the Korean Chemical Society,2010,vol. 54,p. 429 - 436
  • 6
  • [ 20535-83-5 ]
  • [ 951657-66-2 ]
Reference： [1]Journal of the Korean Chemical Society,2010,vol. 54,p. 429 - 436
  • 7
  • [ 1415634-04-6 ]
  • [ 20535-83-5 ]
  • [ 1365348-52-2 ]
YieldReaction ConditionsOperation in experiment
51% With di-isopropyl azodicarboxylate; triphenylphosphine; In 1,4-dioxane; at 10 - 20℃;Inert atmosphere; General procedure: To a dioxane solution (4.5 mL) of 3 (160 mg, 0.417 mmol), purine (0.627 mmol), and triphenylphosphine (164 mg, 0.627 mmol) under argon at 10 C was added dropwise di-isopropylazodicarboxylate (127 mg, 0.627 mmol). After 12 h stirring at room temperature, volatiles were evaporated, and residue was purified by silica gel column chromatography (MeOH/CH2Cl2 2:98) to give pure desired compound.
Reference： [1]European Journal of Medicinal Chemistry,2012,vol. 57,p. 126 - 133
  • 8
  • [ 69655-05-6 ]
  • [ 20535-83-5 ]
  • 2-Amino-6-methoxy-9-(2,3-dideoxy-β-D-glycero-pentofuranosyl)purine [ No CAS ]
Reference： [1]ChemCatChem,2018,vol. 10,p. 4406 - 4416
  • 9
  • [ 4097-22-7 ]
  • [ 20535-83-5 ]
  • 2-Amino-6-methoxy-9-(2,3-dideoxy-β-D-glycero-pentofuranosyl)purine [ No CAS ]
YieldReaction ConditionsOperation in experiment
With purine nucleoside 2’-deoxyribosyltransferase from Trypanosoma brucei In aq. phosphate buffer at 50℃; for 4h; Enzymatic reaction;
Reference： [1]Pérez, Elena; Sánchez-Murcia, Pedro A.; Jordaan, Justin; Blanco, María Dolores; Mancheño, José Miguel; Gago, Federico; Fernández-Lucas, Jesús [ChemCatChem, 2018, vol. 10, # 19, p. 4406 - 4416]
  • 10
  • [ 890-38-0 ]
  • [ 20535-83-5 ]
  • [ 964-21-6 ]
Reference： [1]ChemCatChem,2018,vol. 10,p. 4406 - 4416
  • 11
  • [ 38819-10-2 ]
  • [ 20535-83-5 ]
  • 9-(β-D-Arabinofuranosyl)-2-amino-6-methoxy-9H-purine [ No CAS ]
Reference： [1]ChemCatChem,2018,vol. 10,p. 4406 - 4416
YieldReaction ConditionsOperation in experiment
The synthetic mRNA construct of claim 1, wherein the mRNA construct comprises one or more chemically-modified nucleotides selected from the group of ...pseudouridine, 2'-O-methyl-pseudouridine, N1-hydroxypseudouridine, N1-methylpseudouridine, 2'-O-methyl-N1-methylpseudouridine, N1-ethylpseudouridine, N1-hydroxymethylpseudouridine, and Arauridine;5-hydroxycytidine, 5-methylcytidine, 5-hydroxymethylcytidine, 5-carboxycytidine, 5-formylcytidine, 5-methoxycytidine, 5-propynylcytidine, 2-thiocytidine;5-hydroxyuridine, 5-methyluridine, 5,6-dihydro-5-methyluridine, 2'-O-methyluridine, 2'-O-methyl-5-methyluridine, 2'-fluoro-2'-deoxyuridine, 2'-amino-2'-deoxyuridine, 2'-azido-2'-deoxyuridine, 4-thiouridine, 5-hydroxymethyluridine, 5-carboxyuridine, 5-carboxymethylesteruridine, 5-formyluridine, 5-methoxyuridine, 5-propynyluridine, 5-bromouridine, 5-iodouridine, 5-fluorouridine;N6-methyladenosine, 2-aminoadenosine, 3-methyladenosine, 7-deazaadenosine, 8-oxoadenosine, inosine;thienoguanosine, 7-deazaguanosine, 8-oxoguanosine, and 6-O-methylguanine.

Tags: 20535-83-5 synthesis path| 20535-83-5 SDS| 20535-83-5 COA| 20535-83-5 purity| 20535-83-5 application| 20535-83-5 NMR| 20535-83-5 COA| 20535-83-5 structure

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7H-purin-2-amine
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Heterocyclic Building Blocks
Purines
amino-purin
Chemistry
Organic Building Blocks
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7H-purin-2-amine
Chemistry
Organic Building Blocks
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amino-purin
Chemistry
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Imidazoles
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Ethers

Technical Information

• 1,4-Addition of an Amine to a Conjugated Enone • 1,4-Addition of an Amine to a Conjugated Enone • Acetal Formation • Amides Can Be Converted into Aldehydes • Amine Synthesis from Nitriles • Amine Synthesis from Nitriles • Amines Convert Acyl Chlorides into Amides • Amines Convert Esters into Amides • Azide Reduction by LiAlH4 • Azide Reduction by LiAlH4 • Basicity of Amines • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Chichibabin Reaction • Diazotization Reaction • DIBAL Attack Nitriles to Give Ketones • Enamine Formation • Esters Are Reduced by LiAlH4 to Give Alcohols • Esters Hydrolyze to Carboxylic Acids and Alcohols • Ether Synthesis by Oxymercuration-Demercuration • Ethers Synthesis from Alcohols with Strong Acids • Formation of an Amide from an Amine and a Carboxylic Acid • Formation of an Amide from an Amine and a Carboxylic Acid • Grignard Reagents Transform Esters into Alcohols • Hemiaminal Formation from Amines and Aldehydes or Ketones • Hemiaminal Formation from Amines and Aldehydes or Ketones • Hofmann Elimination • Hofmann Rearrangement • Hydride Reductions • Hydrolysis of Imines to Aldehydes and Ketones • Imine Formation from Amines and Aldehydes or Ketones • Leuckart-Wallach Reaction • Mannich Reaction • Methylation of Ammonia • Methylation of Ammonia • Nitrosation of Amines • Nomenclature of Ethers • Peptide Bond Formation with DCC • Petasis Reaction • Preparation of Amines • Preparation of Ethers • Preparation of LDA • Primary Ether Cleavage with Strong Nucleophilic Acids • Reactions of Amines • Reactions of Ethers • Reduction of an Amide to an Amine • Reduction of an Amide to an Amine • Reductive Amination • Reductive Amination • Ring Opening of Azacyclopropanes • Ring Opening of Azacyclopropanes • Ring Opening of Oxacyclobutanes • Ring Opening of Oxacyclopropane • Specialized Acylation Reagents-Vilsmeier Reagent • Strecker Synthesis • Synthesis of 2-Amino Nitriles • Synthesis of Alcohols from Tertiary Ethers • The Nucleophilic Opening of Oxacyclopropanes • Ugi Reaction
Historical Records

Related Functional Groups of
[ 20535-83-5 ]

Ethers

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Related Parent Nucleus of
[ 20535-83-5 ]

Purines

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