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2627-69-2

2627-69-2 structural image
Product Name: AICAR
Formula: C9H14N4O5
Synonyms: Acadesine;AMPK;PRKAB1;PRKAB2;PRKAG1
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CHEMICAL AND PHYSICAL PROPERTIES

Melting Point 213 dec °C
Collision Cross Section 152 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 258.23 g/mol
XLogP3 -2.2
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 258.09641956 g/mol
Monoisotopic Mass 258.09641956 g/mol
Topological Polar Surface Area 157 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 330
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Acadesine is a 1-ribosylimidazolecarboxamide in which the carboxamide group is situated at position 4 of the imidazole ring, which is further substituted at position 5 by an amino group. A purine nucleoside analogue and activator of AMP-activated protein kinase, it is is used for the treatment of acute lymphoblastic leukemia and is reported to have cardioprotective effects. It has a role as a platelet aggregation inhibitor and an antineoplastic agent. It is an aminoimidazole, a nucleoside analogue and a 1-ribosylimidazolecarboxamide.