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BOS-318

CAT: 1568-C01505-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C01505-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2387633-15-8
SKU
C01505-5mg
Target
Others
Applications
Others
Smiles
CN1CCN (CC1) C2=NC=C (OC3=NC (=CC (=C3) CN4CCC (CC4) CC (O) =O) C5=CC (=CC (=C5) Cl) Cl) C=N2
Additionnal Information
BOS-318 is a potent, slowly dissociating, highly selective, and cell-permeable furin inhibitor with IC50 value of 1.9 nM.
Storage Conditions
3 years -20°C powder

Chemical Information

(1-{[2-(3,5-Dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid
CAS Number2387633-15-8
PubChem CID146241691
IUPAC Name2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid
Molecular FormulaC28H32Cl2N6O3
Molecular Weight571.5
XLogP2
Topological Polar Surface Area94.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity764
SMILES
CN1CCN(CC1)C2=NC=C(C=N2)OC3=CC(=CC(=N3)C4=CC(=CC(=C4)Cl)Cl)CN5CCC(CC5)CC(=O)O
InChI
InChI=1S/C28H32Cl2N6O3/c1-34-6-8-36(9-7-34)28-31-16-24(17-32-28)39-26-11-20(18-35-4-2-19(3-5-35)12-27(37)38)10-25(33-26)21-13-22(29)15-23(30)14-21/h10-11,13-17,19H,2-9,12,18H2,1H3,(H,37,38)
InChIKey
AZEJIKZNBHEXCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-{[2-(3,5-Dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid
CAS: 2387633-15-8
CID: 146241691
Formula: C28H32Cl2N6O3
MW: 571.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight571.5
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass570.1912943
Monoisotopic Mass570.1912943
Topological Polar Surface Area94.9 Ų
Heavy Atom Count39
Formal Charge0
Complexity764
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BA7728-25BOS-318
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P522400Bos d 3 Protein (Bos domesticus)
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BA4273-5BOS-172722

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