Phosphatase-IN-1

CAT: 0931-T78835-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T78835-01Size:1 mg

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CAS Number

2889356-55-0

Target

Antifungal, Phosphatase

Related Pathways

Microbiology/Virology, Metabolism

Purity

0.9988

Bioactivity

Phosphatase-IN-1 (compound II-8), a propranolol derivative, acts as an inhibitor of phosphatidate phosphatase (Pah) . It binds to MoPah1 with an affinity constant of 19.8 μM, demonstrating growth inhibition of plant pathogens and anti-fungal properties, while exhibiting no toxicity towards rice seedlings and wheat heads [1].

Smiles

FC1=CC=C(C=C1)CNCC(O)COC2=CC=C(Cl)C=C2Cl

Molecular Formula

C16H16Cl2FNO2

Molecular Weight

344.21

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Phosphatase-IN-1

CAS Number	2889356-55-0
PubChem CID	168510550
IUPAC Name	1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
Molecular Formula	C16H16Cl2FNO2
Molecular Weight	344.2
XLogP	3.7
Topological Polar Surface Area	41.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	317

SMILES

C1=CC(=CC=C1CNCC(COC2=C(C=C(C=C2)Cl)Cl)O)F

InChI

InChI=1S/C16H16Cl2FNO2/c17-12-3-6-16(15(18)7-12)22-10-14(21)9-20-8-11-1-4-13(19)5-2-11/h1-7,14,20-21H,8-10H2

InChIKey

YYGBMBKCULOTAA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2889356-55-0

CID: 168510550

Formula: C16H16Cl2FNO2

MW: 344.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	344.2
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	343.0542123
Monoisotopic Mass	343.0542123
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	317
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TRP-00608-01	Protein phosphatase 2C
TRP-00448-01	Alkaline Phosphatase, Porcine Kidney
TRP-00445-01	Alkaline Phosphatase, Human Placental
CB0009S	Acid Phosphatase Assay Kit (Spectrophotometry)
CB0019S	Alkaline Phosphatase Assay Kit (Spectrophotometry)
TRP-00456-01	Acid Phosphatase, Prostatic (ACP/PAP)

Alternative Products

Catalog	Name
HY-149492-01	Phosphatase-IN-1
FP146295-01	Phytate 1-phosphatase
HY-156970	Phosphatase Binder-1
544788	Acid Phosphatase 1
480206	ENOPH1 (Enolase-Phosphatase E1, Enolase-Phosphatase 1)
488596	PHOSPHO1 (Phosphoethanolamine/Phosphocholine Phosphatase, Phosphatase, Orphan 1)
041673	SGPP1, NT (SGPP1, Sphingosine-1-phosphate phosphatase 1, Sphingosine-1-phosphatase 1)
MBS395562-01	Sphingosine 1-Phosphate Phosphatase 1
AP87492-01	Sphingosine-1-phosphate phosphatase 1
MBS395450-01	Protein Phosphatase 1 gamma 1

Phosphatase-IN-1

Chemical Information

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