WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 530110
CAS#: 587879-32-1 (free base)
Description: P552-02, also known as KM-003, PS 552-02, or 552-02, is a sodium channel blocker potentially for the treatment of cystic fibrosis.
MedKoo Cat#: 530110
Name: P552-02 free base
CAS#: 587879-32-1 (free base)
Chemical Formula: C19H26ClN7O4
Exact Mass: 451.1735
Molecular Weight: 451.912
Elemental Analysis: C, 50.50; H, 5.80; Cl, 7.84; N, 21.70; O, 14.16
Synonym: KM-003; KM 003; KM003; P552-02; P552 02; P55202; P 55202; P-55202; P552-02 mesylate; PS 552-02; 552-02
IUPAC/Chemical Name: 3,5-diamino-6-chloro-N-(N-(4-(4-(2,3-dihydroxypropoxy)phenyl)butyl)carbamimidoyl)pyrazine-2-carboxamide
InChi Key: NTRKMGDUWYBLMS-UHFFFAOYSA-N
InChi Code: InChI=1S/C19H26ClN7O4/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-8-2-1-3-11-4-6-13(7-5-11)31-10-12(29)9-28/h4-7,12,28-29H,1-3,8-10H2,(H4,21,22,26)(H3,23,24,27,30)
SMILES Code: O=C(C1=NC(Cl)=C(N)N=C1N)NC(NCCCCC2=CC=C(OCC(O)CO)C=C2)=N
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 451.912 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
1: Coote KJ, Paisley D, Czarnecki S, Tweed M, Watson H, Young A, Sugar R, Vyas M, Smith NJ, Baettig U, Groot-Kormelink PJ, Gosling M, Lock R, Ethell B, Williams G, Schumacher A, Harris J, Abraham WM, Sabater J, Poll CT, Faller T, Collingwood SP, Danahay H. NVP-QBE170: an inhaled blocker of the epithelial sodium channel with a reduced potential to induce hyperkalaemia. Br J Pharmacol. 2015 Jun;172(11):2814-26. doi: 10.1111/bph.13075. Epub 2015 Apr 23. PMID: 25573195; PMCID: PMC4439877.
2: Blé FX, Cannet C, Collingwood S, Danahay H, Beckmann N. ENaC-mediated effects assessed by MRI in a rat model of hypertonic saline-induced lung hydration. Br J Pharmacol. 2010 Jun;160(4):1008-15. doi: 10.1111/j.1476-5381.2010.00747.x. PMID: 20590595; PMCID: PMC2936005.
3: Hirsh AJ, Molino BF, Zhang J, Astakhova N, Geiss WB, Sargent BJ, Swenson BD, Usyatinsky A, Wyle MJ, Boucher RC, Smith RT, Zamurs A, Johnson MR. Design, synthesis, and structure-activity relationships of novel 2-substituted pyrazinoylguanidine epithelial sodium channel blockers: drugs for cystic fibrosis and chronic bronchitis. J Med Chem. 2006 Jul 13;49(14):4098-115. doi: 10.1021/jm051134w. PMID: 16821771.
587879-32-1(552-02 Free base)