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PI-55

CAT: 0931-T60390-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T60390-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1122579-42-3
Target
Others, Parasite
Related Pathways
Microbiology/Virology, Others
Purity
0.9859
Bioactivity
PI-55 (6- (2-hydroxy-3-methylbenzylamino) purine) is a cytokinin receptor inhibitor that exhibits structural similarity to 6-benzylaminopurine (BAP) . It competitively inhibits BAP binding on the specific Arabidopsis receptors CRE1/AHK4 and AHK3. Furthermore, PI-55 effectively suppresses cytokinins-induced haustorium formation and enhances parasite aggressiveness [1].
Smiles
Cc1cccc(CNc2ncnc3[nH]cnc23)c1O
Molecular Formula
C13H13N5O
Molecular Weight
255.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(((9H-Purin-6-yl)amino)methyl)-6-methylphenol
CAS Number1122579-42-3
PubChem CID67541360
IUPAC Name2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol
Molecular FormulaC13H13N5O
Molecular Weight255.28
XLogP1.9
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity303
SMILES
CC1=C(C(=CC=C1)CNC2=NC=NC3=C2NC=N3)O
InChI
InChI=1S/C13H13N5O/c1-8-3-2-4-9(11(8)19)5-14-12-10-13(16-6-15-10)18-7-17-12/h2-4,6-7,19H,5H2,1H3,(H2,14,15,16,17,18)
InChIKey
LYHDZSQXAKLVHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(((9H-Purin-6-yl)amino)methyl)-6-methylphenol
CAS: 1122579-42-3
CID: 67541360
Formula: C13H13N5O
MW: 255.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.28
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass255.11201006
Monoisotopic Mass255.11201006
Topological Polar Surface Area86.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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