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KP-302

CAT: 0013-GTR19234137-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234137-01Size:1 mg
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Description
KP-302 (compound 23) is a selective PAD2 inhibitor exhibiting a Ki of 60 μM. This small molecule has demonstrated efficacy in an MS mouse model, where it reduced physical disability and cleared brain T-cell infiltration, supporting its use in autoimmune and neuroinflammation research.
CAS Number
2082765-42-0
Product Name Alternative
KP302
Field of Research
Epigenetics & Chromatin
Purity
99.77% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:5 mg/mL (13.68 mM) ; DMSO:80 mg/mL (218.92 mM)
Smiles
[C@H] (NC (=O) C=1N (C) C=CC1) (CCN2C=CN=C2) C (NCC3=CC=CC=C3) =O
Molecular Formula
C20H23N5O2
Molecular Weight
365.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 126615756
CAS Number2082765-42-0
PubChem CID126615756
IUPAC NameN-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]-1-methylpyrrole-2-carboxamide
Molecular FormulaC20H23N5O2
Molecular Weight365.4
XLogP1.2
Topological Polar Surface Area81
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity495
SMILES
CN1C=CC=C1C(=O)N[C@@H](CCN2C=CN=C2)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C20H23N5O2/c1-24-11-5-8-18(24)20(27)23-17(9-12-25-13-10-21-15-25)19(26)22-14-16-6-3-2-4-7-16/h2-8,10-11,13,15,17H,9,12,14H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1
InChIKey
XLISVTDEJLYVTB-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of CID 126615756
CAS: 2082765-42-0
CID: 126615756
Formula: C20H23N5O2
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass365.18517499
Monoisotopic Mass365.18517499
Topological Polar Surface Area81 Ų
Heavy Atom Count27
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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