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BPK-29

CAT: 0931-T13586-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T13586-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2143467-62-1
Target
Others, Nrf2
Related Pathways
Immunology/Inflammation, Others
Bioactivity
BPK-29, a ligand specifically targeting the atypical orphan nuclear receptor NR0B1, disrupts its protein interactions through covalent modification at C274, thereby impairing the anchorage-independent growth of KEAP1-mutant cancer cells.
Smiles
N(CC1=CC=CC=C1)(C(CCl)=O)C2CCN(C(=O)C3=CC=C(C=C3)N4CCOCC4)CCC2
Molecular Formula
C26H32ClN3O3
Molecular Weight
470
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-benzyl-2-chloro-N-[1-(4-morpholin-4-ylbenzoyl)azepan-4-yl]acetamide
CAS Number2143467-62-1
PubChem CID135397651
IUPAC NameN-benzyl-2-chloro-N-[1-(4-morpholin-4-ylbenzoyl)azepan-4-yl]acetamide
Molecular FormulaC26H32ClN3O3
Molecular Weight470.0
XLogP3.7
Topological Polar Surface Area53.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity628
SMILES
C1CC(CCN(C1)C(=O)C2=CC=C(C=C2)N3CCOCC3)N(CC4=CC=CC=C4)C(=O)CCl
InChI
InChI=1S/C26H32ClN3O3/c27-19-25(31)30(20-21-5-2-1-3-6-21)24-7-4-13-29(14-12-24)26(32)22-8-10-23(11-9-22)28-15-17-33-18-16-28/h1-3,5-6,8-11,24H,4,7,12-20H2
InChIKey
ZKWKNYRAPOSUDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-benzyl-2-chloro-N-[1-(4-morpholin-4-ylbenzoyl)azepan-4-yl]acetamide
CAS: 2143467-62-1
CID: 135397651
Formula: C26H32ClN3O3
MW: 470.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.0
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass469.2132196
Monoisotopic Mass469.2132196
Topological Polar Surface Area53.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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TKD46762-01BPK-29
HY-122054A-01BPK-29 (hydrochloride)
MBS5754254BPK-29 hydrochloride
A18639-50BPK-29 50mg
A18639-100BPK-29 100mg
A18639-5BPK-29 5mg
A18639-25BPK-29 25mg
A18639-10BPK-29 10mg
HY-141550-01BPK-25
HY-141549-01BPK-21

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