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HIPP

CAT: 0804-HY-121687-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-121687-01Size:25 mg
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Description
HIPP (α- (Hydroxyimino) benzenepropanoic acid) is an inhibitor for human C-terminal binding protein (CtBP), with IC50 of 745 nM and a Kd of 1.3 μM[1].
CAS Number
3682-17-5
Product Name Alternative
α- (Hydroxyimino) benzenepropanoic acid
UNSPSC
12352005
Hazard Statement
H302, H312, H332
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hipp.html
Purity
99.81
Solubility
H2O : 2 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(/C(CC1=CC=CC=C1)=N\O)O
Molecular Formula
C9H9NO3
Molecular Weight
179.17
Precautions
H302, H312, H332
References & Citations
[1]Hilbert BJ, et al., Structure-guided design of a high affinity inhibitor to human CtBP. ACS Chem Biol. 2015 Apr 17;10 (4) :1118-27.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
Phase 4

Chemical Information

2-(Hydroxyimino)-3-Phenylpropanoic Acid

Phenylpyruvic acid oxime is a ketoxime obtained by condensation of the keto group of phenylpyruvic acid with hydroxylamine. It is a ketoxime and a monocarboxylic acid. It is functionally related to a keto-phenylpyruvic acid.

CAS Number3682-17-5
PubChem CID6416112
IUPAC Name(2Z)-2-hydroxyimino-3-phenylpropanoic acid
Molecular FormulaC9H9NO3
Molecular Weight179.17
XLogP2.1
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity207
SMILES
C1=CC=C(C=C1)C/C(=N/O)/C(=O)O
InChI
InChI=1S/C9H9NO3/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H,11,12)/b10-8-
InChIKey
PNTMGOUAICFJQK-NTMALXAHSA-N
Chemical Structure
2D Structure
2D structure of 2-(Hydroxyimino)-3-Phenylpropanoic Acid
CAS: 3682-17-5
CID: 6416112
Formula: C9H9NO3
MW: 179.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.17
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass179.058243149
Monoisotopic Mass179.058243149
Topological Polar Surface Area69.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity207
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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