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Chemical structure of Plasma kallikrein-IN-4

GC71219

Plasma kallikrein-IN-4

Also known as N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide

Plasma kallikrein-IN-4 (Example 153) is a plasma kallikrein inhibitor with an IC50 of 0·016 μM against human plasma kallikrein

ChemicalCAS1357954-34-7MW401.46FormulaC22H23N7O
CAS number
1357954-34-7
Molecular weight
401.46
Formula
C22H23N7O
Solubility
DMSO ： 100 mg/mL (249·09 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
BYZNGWXDOMLVBH-UHFFFAOYSA-N
Catalogue number
GC71219
Brand
GLPBIO
Computed properties PubChem CID 58081326 · XLogP 2.4 · TPSA 112 Ų · H-bond donors 2
XLogP
2.4
TPSA
112 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30

SMILES CC1=NC2=C(C=C1)C=C(C=C2)CN3C=C(N=N3)C(=O)NCC4=C(N=C(C=C4C)N)C

Computed descriptors from PubChem (CID 58081326), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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