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BC-1471

CAT: 0931-T8553-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T8553-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
896683-84-4
Target
Others, Interleukin, DUB, Caspase
Related Pathways
Apoptosis, Immunology/Inflammation, Ubiquitination, Cell Cycle/Checkpoint, Others, Proteases/Proteasome, DNA Damage/DNA Repair
Purity
0.9998
Bioactivity
BC-1471 is a STAM-binding protein (STAMBP) deubiquitinase inhibitor that inhibits the inflammasome activity of NALP7 (NACHT, LRR, and PYD domains-containing protein 7) [1].
Smiles
O=C(CSc1nc2ccc(cc2c(=O)n1CCc1ccccc1)N1CCOCC1)NCC1CCCO1
Molecular Formula
C27H32N4O4S
Molecular Weight
508.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]-N-(2-oxolanylmethyl)acetamide

2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]-N-(2-oxolanylmethyl)acetamide is a member of quinazolines.

CAS Number896683-84-4
PubChem CID16193537
IUPAC Name2-[6-morpholin-4-yl-4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
Molecular FormulaC27H32N4O4S
Molecular Weight508.6
XLogP3.3
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity784
SMILES
C1CC(OC1)CNC(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CCC5=CC=CC=C5
InChI
InChI=1S/C27H32N4O4S/c32-25(28-18-22-7-4-14-35-22)19-36-27-29-24-9-8-21(30-12-15-34-16-13-30)17-23(24)26(33)31(27)11-10-20-5-2-1-3-6-20/h1-3,5-6,8-9,17,22H,4,7,10-16,18-19H2,(H,28,32)
InChIKey
GJKRCJKXXVVAMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]-N-(2-oxolanylmethyl)acetamide
CAS: 896683-84-4
CID: 16193537
Formula: C27H32N4O4S
MW: 508.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.6
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass508.21442669
Monoisotopic Mass508.21442669
Topological Polar Surface Area109 Ų
Heavy Atom Count36
Formal Charge0
Complexity784
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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