P552-02 mesylate

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MedKoo CAT#: 556070

CAS#: 587879-54-7 (mesylate)

Description: PS 552-02 , also known as P552-02, KM-003, or 552-02, is a sodium channel blocker potentially for the treatment of cystic fibrosis.

Chemical Structure

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P552-02 mesylate
CAS# 587879-54-7 (mesylate)
Instruction

Theoretical Analysis

MedKoo Cat#: 556070
Name: P552-02 mesylate
CAS#: 587879-54-7 (mesylate)
Chemical Formula: C20H30ClN7O7S
Exact Mass: 451.17
Molecular Weight: 548.012
Elemental Analysis: C, 43.83; H, 5.52; Cl, 6.47; N, 17.89; O, 20.44; S, 5.85

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 587879-32-1 (free base)   587879-54-7 (mesylate)   587879-57-0 (HCl)    

Synonym: P552-02 mesylate; P552-02; P-552-02; P 552-02; P55202; P-55202; P 55202; PS552-02; PS-552-02; PS 552-02; KM-003; KM 003; KM003;

IUPAC/Chemical Name: 3,5-diamino-6-chloro-N-(N-(4-(4-(2,3-dihydroxypropoxy)phenyl)butyl)carbamimidoyl)pyrazine-2-carboxamide mesylate

InChi Key: ZYOATBKPEFZNGP-UHFFFAOYSA-N

InChi Code: InChI=1S/C19H26ClN7O4.CH4O3S/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;1-5(2,3)4/h4-7,12,28-29H,1-3,8-10H2,(H4,21,22,26)(H3,23,24,27,30);1H3,(H,2,3,4)

SMILES Code: O=C(C1=NC(Cl)=C(N)N=C1N)NC(NCCCCC2=CC=C(OCC(O)CO)C=C2)=N.OS(=O)(C)=O

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 548.01 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:
In vitro protocol:
In vivo protocol:

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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.