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ALR2-IN-1

CAT: 1410-M36935-01Size: 1 EachDry Ice: NoHazardous: No
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Description
ALR2-IN-1 is a potent and selective ALR2 inhibitor with an IC50 value of 1.42 μM. ALR2-IN-1 possesses both antiglycemic and antioxidant activities and can be used to study the complications of diabetes.
CAS Number
2799695-54-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
315.39
Molecular Formula
C16H17N3O2S
Notes
Research use only, not for human use.
Receptor
Reductase

Chemical Information

Alr2-IN-1
CAS Number2799695-54-6
PubChem CID164887504
IUPAC Name1-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
Molecular FormulaC16H17N3O2S
Molecular Weight315.4
XLogP3.1
Topological Polar Surface Area98
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity392
SMILES
CC1=CC(=C(C=C1)O)/C=N/NC(=S)NC2=CC(=CC=C2)OC
InChI
InChI=1S/C16H17N3O2S/c1-11-6-7-15(20)12(8-11)10-17-19-16(22)18-13-4-3-5-14(9-13)21-2/h3-10,20H,1-2H3,(H2,18,19,22)/b17-10+
InChIKey
YVXUMITTYYQGMP-LICLKQGHSA-N
Chemical Structure
2D Structure
2D structure of Alr2-IN-1
CAS: 2799695-54-6
CID: 164887504
Formula: C16H17N3O2S
MW: 315.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.4
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass315.10414797
Monoisotopic Mass315.10414797
Topological Polar Surface Area98 Ų
Heavy Atom Count22
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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