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Minodronic acid

CAT: 0804-HY-16322-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16322-01Size:5 mg
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Description
Minodronic acid (YM-529) is a third-generation bisphosphonate that directly and indirectly prevents proliferation, induces apoptosis, and inhibits metastasis of various types of cancer cells. Minodronic acid (YM-529) is an antagonist of purinergic P2X2/3 receptors involved in pain[1][2].
CAS Number
180064-38-4
Product Name Alternative
YM-529
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Apoptosis; P2X Receptor
Type
Reference compound
Related Pathways
Apoptosis; Membrane Transporter/Ion Channel
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/minodronic-acid.html
Purity
99.67
Solubility
H2O : 5 mg/mL (ultrasonic; warming; adjust pH to 10 with NaOH; heat to 80°C)
Smiles
OC(P(O)(O)=O)(P(O)(O)=O)CC1=CN=C2C=CC=CN21
Molecular Formula
C9H12N2O7P2
Molecular Weight
322.15
Precautions
H302, H315, H319, H335
References & Citations
[1]Sato K, et al. A third-generation bisphosphonate, minodronic acid (YM529), successfully prevented the growth of bladder cancer in vitro and in vivo. Br J Cancer. 2006 Nov 20;95 (10) :1354-61.|[2]Tanaka M, et al. Minodronic acid induces morphological changes in osteoclasts at bone resorption sites and reaches a level required for antagonism of purinergic P2X2/3 receptors. J Bone Miner Metab. 2018 Jan;36 (1) :54-63.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
P2X2 Receptor; P2X3 Receptor

Chemical Information

Minodronic Acid

See also: Minodronic acid monohydrate (annotation moved to).

CAS Number180064-38-4
PubChem CID130956
IUPAC Name(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid
Molecular FormulaC9H12N2O7P2
Molecular Weight322.15
XLogP-2.2
Topological Polar Surface Area153
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity439
SMILES
C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
InChIKey
VMMKGHQPQIEGSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Minodronic Acid
CAS: 180064-38-4
CID: 130956
Formula: C9H12N2O7P2
MW: 322.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.15
XLogP3-2.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass322.01197472
Monoisotopic Mass322.01197472
Topological Polar Surface Area153 Ų
Heavy Atom Count20
Formal Charge0
Complexity439
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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