P552-02 free base
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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.


Chemical Structure

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P552-02 free base
CAS# 587879-32-1 (free base)

Theoretical Analysis

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

Price and Availability

Size Price Availability Quantity
1.0mg USD 95.0 Ready to ship
5.0mg USD 250.0 Ready to Ship
10.0mg USD 450.0 Ready to Ship
25.0mg USD 950.0 Ready to Ship
50.0mg USD 1650.0 Ready to Ship
100.0mg USD 2650.0 Ready to Ship
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Related CAS #: 587879-32-1 (free base)   587879-54-7 (mesylate)   587879-57-0 (HCl)    

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

Biological target: 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.
In vitro activity: Amiloride and P552-02 likewise attenuated ENaC function across species with potency values, comparable to published data (Coote et al., 2008; Hirsh et al., 2008). Reference: Br J Pharmacol. 2015 Jun;172(11):2814-26. https://pubmed.ncbi.nlm.nih.gov/25573195/
In vivo activity: Subsequent dose–response studies using either amiloride (Figure 3A) or 552-02 (Figure 3B), a recently described, potent ENaC blocker (Hirsh et al., 2008), confirmed the initial observations of the enhanced lung fluid volumes. These data suggest that 552-02 is approximately 30-fold more potent than amiloride in vivo, consistent with previous reports in rodent airways (Coote et al., 2008). Reference: Br J Pharmacol. 2010 Jun;160(4):1008-15. https://pubmed.ncbi.nlm.nih.gov/20590595/

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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
Formulation protocol: 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.
In vitro protocol: 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.
In vivo protocol: 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.

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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.



Additional Information

Related CAS#
587879-32-1(552-02 Free base)
587879-54-7(552-02 Sulfite)