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MedKoo Cat#: 532754 | Name: SM19712 sodium

Description:

WARNING: This product is for research use only, not for human or veterinary use.

SM19712 is a nonpeptide endothelin converting enzyme inhibitor.

Chemical Structure

SM19712 sodium
SM19712 sodium
CAS#194542-56-8 (sodium),

Theoretical Analysis

MedKoo Cat#: 532754

Name: SM19712 sodium

CAS#: 194542-56-8 (sodium),

Chemical Formula: C18H13ClN5NaO3S

Exact Mass: 437.0325

Molecular Weight: 437.83

Elemental Analysis: C, 49.38; H, 2.99; Cl, 8.10; N, 16.00; Na, 5.25; O, 10.96; S, 7.32

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
194542-49-9 (free) 194542-56-8 (sodium)
Synonym
SM19712; SM-19712; SM 19712.
IUPAC/Chemical Name
sodium ((4-chlorophenyl)sulfonyl)((4-cyano-3-methyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl)amide
InChi Key
FBSZSOXTWRKLKD-UHFFFAOYSA-M
InChi Code
InChI=1S/C18H14ClN5O3S.Na/c1-12-16(11-20)17(24(22-12)14-5-3-2-4-6-14)21-18(25)23-28(26,27)15-9-7-13(19)8-10-15;/h2-10H,1H3,(H2,21,22,23,25);/q;+1/p-1
SMILES Code
O=S(C1=CC=C(Cl)C=C1)([N-]C(NC2=C(C#N)C(C)=NN2C3=CC=CC=C3)=O)=O.[Na+]
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 437.83 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
1: Hasdemir B, Mahajan S, Bunnett NW, Liao M, Bhargava A. Endothelin-converting enzyme-1 actions determine differential trafficking and signaling of corticotropin-releasing factor receptor 1 at high agonist concentrations. Mol Endocrinol. 2012 Apr;26(4):681-95. doi: 10.1210/me.2011-1361. Epub 2012 Feb 9. PubMed PMID: 22322595; PubMed Central PMCID: PMC3327357. 2: Pelayo JC, Poole DP, Steinhoff M, Cottrell GS, Bunnett NW. Endothelin-converting enzyme-1 regulates trafficking and signalling of the neurokinin 1 receptor in endosomes of myenteric neurones. J Physiol. 2011 Nov 1;589(Pt 21):5213-30. doi: 10.1113/jphysiol.2011.214452. Epub 2011 Aug 30. PubMed PMID: 21878523; PubMed Central PMCID: PMC3225675.