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ML095

CAT: 0804-HY-128000-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-128000-01Size:5 mg
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Description
ML095 is a biochemical inhibitor of PLAP. ML095 is useful to elucidate the key biological functions and natural substrates of human PLAP[1].
CAS Number
1135318-57-8
Product Name Alternative
CID-25067483
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Phosphatase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ml095.html
Concentration
10mM
Purity
99.08
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
CCC1=NC=CN1CC(C2=CC=C(O)C(O)=C2)=O.Cl
Molecular Formula
C13H15ClN2O3
Molecular Weight
282.72
Precautions
H302, H315, H319, H335
References & Citations
[1]Lanier M, et al. Placental Alkaline Phosphatase (PLAP) Luminescent HTS assay - Probe 2. 2009 May 16 [Updated 2010 Sep 2]. In: Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD) : National Center for Biotechnology Information (US) ; 2010-.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-(3,4-Dihydroxyphenyl)-2-(3-ethyl-1H-pyrazol-1-yl)ethanone hydrochloride
CAS Number1135318-57-8
PubChem CID25067483
IUPAC Name1-(3,4-dihydroxyphenyl)-2-(2-ethylimidazol-1-yl)ethanone;hydrochloride
Molecular FormulaC13H15ClN2O3
Molecular Weight282.72
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity298
SMILES
CCC1=NC=CN1CC(=O)C2=CC(=C(C=C2)O)O.Cl
InChI
InChI=1S/C13H14N2O3.ClH/c1-2-13-14-5-6-15(13)8-12(18)9-3-4-10(16)11(17)7-9;/h3-7,16-17H,2,8H2,1H3;1H
InChIKey
VTSPJLHFXSMCCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3,4-Dihydroxyphenyl)-2-(3-ethyl-1H-pyrazol-1-yl)ethanone hydrochloride
CAS: 1135318-57-8
CID: 25067483
Formula: C13H15ClN2O3
MW: 282.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.72
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass282.0771200
Monoisotopic Mass282.0771200
Topological Polar Surface Area75.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
HY-128005ML085

Alternative Products

CatalogName
555937ML095 HCl
A22545-50ML095 HCl 50mg
KVB31857-01ML095 hydrochloride
A22545-5ML095 HCl 5mg
A22545-2ML095 HCl 2mg
A22545-100ML095 HCl 100mg
A22545-25ML095 HCl 25mg
A22545-200ML095 HCl 200mg
A22545-10ML095 HCl 10mg
A22545-10mM-DML095 HCl 10mM * 1mL in DMSO

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