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Perforin-IN-2

CAT: 0804-HY-160214-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-160214-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Perforin-IN-2 (Compound 1) is the inhibitor for perforin that inhibits perforin-mediated cell lysis, thereby reducing graft rejection during allogeneic bone marrow/stem cell transplantation[1].
CAS Number
1567836-70-7
UNSPSC
12352005
Target
Complement System
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/perforin-in-2.html
Purity
99.43
Solubility
DMSO : 33.33 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C1C2=C(CN1C)C=C(C3=CC=C(C4=CN=CC(NS(=O)(C5=C([N+]([O-])=O)C=CC=C5)=O)=C4)S3)C=C2
Molecular Formula
C24H18N4O5S2
Molecular Weight
506.55
References & Citations
[1]Gartlan KH, et al. Preclinical Activity and Pharmacokinetic/Pharmacodynamic Relationship for a Series of Novel Benzenesulfonamide Perforin Inhibitors. ACS Pharmacol Transl Sci. 2022 May 31;5 (6) :429-439.
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

Perforin-IN-2
CAS Number1567836-70-7
PubChem CID73295278
IUPAC NameN-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2-nitrobenzenesulfonamide
Molecular FormulaC24H18N4O5S2
Molecular Weight506.6
XLogP3.2
Topological Polar Surface Area162
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity907
SMILES
CN1CC2=C(C1=O)C=CC(=C2)C3=CC=C(S3)C4=CC(=CN=C4)NS(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]
InChI
InChI=1S/C24H18N4O5S2/c1-27-14-17-10-15(6-7-19(17)24(27)29)21-8-9-22(34-21)16-11-18(13-25-12-16)26-35(32,33)23-5-3-2-4-20(23)28(30)31/h2-13,26H,14H2,1H3
InChIKey
BIAQRTAXQYZHBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perforin-IN-2
CAS: 1567836-70-7
CID: 73295278
Formula: C24H18N4O5S2
MW: 506.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.6
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass506.07186203
Monoisotopic Mass506.07186203
Topological Polar Surface Area162 Ų
Heavy Atom Count35
Formal Charge0
Complexity907
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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