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VX-765

CAT: 0607-A8238-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A8238-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Caspase-1 inhibitor,potent and selective
CAS Number
273404-37-8
Product Name Alternative
(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
Field of Research
Apoptosis Caspase Proteases Caspase
Purity
0.9948
Form
A solid
Solubility
insoluble in H2O; ≥313 mg/mL in DMSO; ≥50.5 mg/mL in EtOH with ultrasonic
Smiles
CCOC1C(CC(=O)O1)NC(=O)C2CCCN2C(=O)C(C(C)(C)C)NC(=O)C3=CC(=C(C=C3)N)Cl
Molecular Formula
C24H33ClN4O6
Molecular Weight
508.99
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

VX 765

Belnacasan is a dipeptide.

CAS Number273404-37-8
PubChem CID11398092
IUPAC Name(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
Molecular FormulaC24H33ClN4O6
Molecular Weight509.0
XLogP2.3
Topological Polar Surface Area140
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity818
SMILES
CCO[C@H]1[C@H](CC(=O)O1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC(=C(C=C3)N)Cl
InChI
InChI=1S/C24H33ClN4O6/c1-5-34-23-16(12-18(30)35-23)27-21(32)17-7-6-10-29(17)22(33)19(24(2,3)4)28-20(31)13-8-9-15(26)14(25)11-13/h8-9,11,16-17,19,23H,5-7,10,12,26H2,1-4H3,(H,27,32)(H,28,31)/t16-,17-,19+,23+/m0/s1
InChIKey
SJDDOCKBXFJEJB-MOKWFATOSA-N
Chemical Structure
2D Structure
2D structure of VX 765
CAS: 273404-37-8
CID: 11398092
Formula: C24H33ClN4O6
MW: 509.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.0
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass508.2088625
Monoisotopic Mass508.2088625
Topological Polar Surface Area140 Ų
Heavy Atom Count35
Formal Charge0
Complexity818
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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