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Incadronic acid

CAT: 0804-HY-149149-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-149149-01Size:1 mg
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Description
Incadronic acid inhibits growth of Dictyostelium discoideum with an IC50 of 1.6 μM. Incadronic acid binds the farnesyl diphosphate synthase (FPPS) in Leishmania major with the Ki of 23 nM. Incadronic acid inhibits the bone resorption and reduces bone loss, that can be used in osteoporosis research. Incadronic acid inhibits the proliferation of cells RAW264.7, PC-3 and MCF-7 with IC50 of 48 to 228.6 µM[1].
CAS Number
124351-85-5
UNSPSC
12352211
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Cancer; Infection; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/incadronic-acid.html
Purity
98.03
Solubility
DMSO : 12.5 mg/mL (ultrasonic)
Smiles
O=P(O)(C(P(O)(O)=O)NC1CCCCCC1)O
Molecular Formula
C8H19NO6P2
Molecular Weight
287.19
References & Citations
[1]Petruczynik P, et al., Three-Component Reaction of Diamines with Triethyl Orthoformate and Diethyl Phosphite and Anti-Proliferative and Antiosteoporotic Activities of the Products. Molecules. 2020 Mar 20;25 (6) :1424.|[2]Bisphosphonate compounds and methods for bone resorption diseases, cancer, bone pain, immune disorders, and infectious diseases. WO2006039721.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Incadronic Acid

Incadronic acid is a 1,1-bis(phosphonic acid).

CAS Number124351-85-5
PubChem CID3699
IUPAC Name[(cycloheptylamino)-phosphonomethyl]phosphonic acid
Molecular FormulaC8H19NO6P2
Molecular Weight287.19
XLogP-3.5
Topological Polar Surface Area127
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity307
SMILES
C1CCCC(CC1)NC(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)9-7-5-3-1-2-4-6-7/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)
InChIKey
LWRDQHOZTAOILO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Incadronic Acid
CAS: 124351-85-5
CID: 3699
Formula: C8H19NO6P2
MW: 287.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.19
XLogP3-3.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass287.06876132
Monoisotopic Mass287.06876132
Topological Polar Surface Area127 Ų
Heavy Atom Count17
Formal Charge0
Complexity307
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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