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Your Location：Home>Product Center >> Entecavir >> 9H-Purin-2-amine,6-(phenylmethoxy)
  • 9H-Purin-2-amine,6-(phenylmethoxy)
Name:9H-Purin-2-amine,6-(phenylmethoxy)
CAS No:19916-73-5

PRODUCT DESCRIPTION

【Name】
9H-Purin-2-amine,6-(phenylmethoxy)-
【Iupac name】
6-phenylmethoxy-7H-purin-2-amine
【CAS Registry number】
19916-73-5
【Synonyms】
2-Amino-6-(phenylmethoxy)-9H-purine
6-(Benzyloxy)guanine
NSC 637037
O6-Benzylguanine
1H-Purin-2-amine,6-(phenylmethoxy)- (9CI)
Purine, 2-amino-6-(benzyloxy)- (7CI,8CI)
2-Amino-6-(benzyloxy)purine
【Molecular Formula】
C12H11N5O (Products with the same molecular formula)
【Molecular Weight】
241.24864
【Inchi】
InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
【InChIKey】
KRWMERLEINMZFT-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N
【MOL File】
19916-73-5.mol

Chemical and Physical Properties

【Appearance】
Light Yellow Solid
【Density】
1.431 g/cm3
【Melting Point】
193 °C
【Boiling Point】
621.4 °C at 760 mmHg
【Vapour】
2.3E-15mmHg at 25°C
【Refractive Index】
1.743
【Flash Point】
329.6 °C
【Water】
methanol: 20 mg/mL
【Solubilities】
methanol: 20 mg/mL
【Computed Properties】
Molecular Weight:241.24864 [g/mol]
Molecular Formula:C12H11N5O
XLogP3:1.2
H-Bond Donor:2
H-Bond Acceptor:1
Rotatable Bond Count:3
Tautomer Count:9
Exact Mass:241.09636
MonoIsotopic Mass:241.09636
Topological Polar Surface Area:89.7
Heavy Atom Count:18
Formal Charge:0
Complexity:271
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:2
Feature 3D Cation Count:2
Feature 3D Ring Count:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:43

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S36
【Hazard Note】
Irritant
【Safety】

Safety Information of O(6)-Benzylguanine (CAS NO.19916-73-5):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38  
36:  Irritating to the eyes  
37:  Irritating to the respiratory system  
38:  Irritating to the skin  
Safety Statements: 26-36 
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice  
36:  Wear suitable protective clothing   
WGK Germany: 3 
Hazard Note: Irritant

【Specification】

 O(6)-Benzylguanine , its CAS NO. is 19916-73-5, the synonyms are 2-Amino-6-(benzyloxy)purine ; 2-Amino-6-(phenylmethoxy)-9H-purine ; 6-(Benzyloxy)guanine ; 6-(Phenylmethoxy)-1H-purin-2-amine ; 6-O-Benzylguanine ; O(6)-Bgua ; O6-Benzylguanine ; Purine, 2-amino-6-(benzyloxy)- ; 1H-Purin-2-amine, 6-(phenylmethoxy)- .

Use and Manufacturing

【Usage】

 O(6)-Benzylguanine (CAS NO.19916-73-5) is used as an irreversible inhibitor of the mammalian DNA repair protein, O6-alkylguanine-DNA alkyltransferase. It assists in the protection against carcinogenic and therapeutic alkylating agents.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances that inhibit or prevent the proliferation of NEOPLASMS.
- Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

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