Peraclopone

CAT: 0931-T68219-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T68219-02Size:50 mg

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CAS Number

96164-19-1

Target

Others

Related Pathways

Others

Bioactivity

Peraclopone is a hypolidemic drug. It is an inhibitor of 7-Dehydrocholesterol reductase. Peraclopone potently inhibits the final step in cholesterol biosynthesis. Feeding this agent to rats leads to a rapid replacement of membrane cholesterol with its immediate precursor 7-dehydrocholesterol, and a dramatic reduction in plasma sterol concentration. Peraclopone caused a dose-dependent decrease in cholesterol and a concomitant accumulation of provitamin D3 (7-dehydrocholesterol) in the skin, which is accompanied by an increase in the plasma level of 25-hydroxyvitamin D3. Treatment with peraclopone dramatically alters membrane sterol content in many membranes including the microvillus membrane of both the jejunum and ileum. In the jejunal microvillus membrane a major change in chemical composition occurred, presumably in response to the alteration in membrane sterol. The net result was a significant decline in both the static and dynamic component of membrane fluidity.

Smiles

ClC1=C(N2CCN(CC(CO/N=C/C3=CC=C(Cl)C=C3)O)CC2)C=CC=C1

Molecular Formula

C20H23Cl2N3O2

Molecular Weight

408.32

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Peraclopone

CAS Number	96164-19-1
PubChem CID	9576876
IUPAC Name	1-[(E)-(4-chlorophenyl)methylideneamino]oxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
Molecular Formula	C20H23Cl2N3O2
Molecular Weight	408.3
XLogP	4.2
Topological Polar Surface Area	48.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	453

SMILES

C1CN(CCN1CC(CO/N=C/C2=CC=C(C=C2)Cl)O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H23Cl2N3O2/c21-17-7-5-16(6-8-17)13-23-27-15-18(26)14-24-9-11-25(12-10-24)20-4-2-1-3-19(20)22/h1-8,13,18,26H,9-12,14-15H2/b23-13+

InChIKey

IAKCDZCRAWGHFD-YDZHTSKRSA-N

Chemical Structure

2D Structure

CAS: 96164-19-1

CID: 9576876

Formula: C20H23Cl2N3O2

MW: 408.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	408.3
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	407.1167324
Monoisotopic Mass	407.1167324
Topological Polar Surface Area	48.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	453
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5810784	Peraclopone

Peraclopone

Chemical Information

Alternative Products

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