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BCPA

CAT: 0804-HY-153675-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153675-02Size:10 mg
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Description
BCPA is a Pin1 regulator without cytotoxicity. BCPA attenuates the reduction of Pin1 protein to inhibit receptor activator of RANKL-induced osteoclastogenesis. BCPA regulates osteoclast activation, used to osteoporosis research[1].
CAS Number
547731-67-9
UNSPSC
12352005
Target
PIN1
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/bcpa.html
Purity
98.51
Solubility
DMSO : 6.67 mg/mL (ultrasonic; warming; heat to 80°C)
Smiles
O=C(NCCCCNC(/C=C/C1=C(Cl)C=CC=C1)=O)/C=C/C2=C(Cl)C=CC=C2
Molecular Formula
C22H22Cl2N2O2
Molecular Weight
417.33
References & Citations
[1]Cho E, et al. BCPA {N, N′-1, 4-Butanediylbis [3- (2-chlorophenyl) acrylamide]} Inhibits osteoclast differentiation through increased retention of peptidyl-prolyl cis-trans isomerase never in mitosis A-interacting 1[J]. International Journal of Molecular Sciences, 2018, 19 (11) : 3436.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
CAS Number547731-67-9
PubChem CID1754518
IUPAC Name(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
Molecular FormulaC22H22Cl2N2O2
Molecular Weight417.3
XLogP5
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity503
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)NCCCCNC(=O)/C=C/C2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C22H22Cl2N2O2/c23-19-9-3-1-7-17(19)11-13-21(27)25-15-5-6-16-26-22(28)14-12-18-8-2-4-10-20(18)24/h1-4,7-14H,5-6,15-16H2,(H,25,27)(H,26,28)/b13-11+,14-12+
InChIKey
KHDKYKZKDQMAKP-PHEQNACWSA-N
Chemical Structure
2D Structure
2D structure of (E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
CAS: 547731-67-9
CID: 1754518
Formula: C22H22Cl2N2O2
MW: 417.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.3
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass416.1058333
Monoisotopic Mass416.1058333
Topological Polar Surface Area58.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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