XAN35021

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

MedKoo CAT#: 565098

CAS#: 1443735-02-1

Description: XAN35021, also known as ROMK inhibitor 25, or ROMK-IN-25, is a potent and selective ROMK inhibitor with improved pharmacokinetic properties. XAN35021 has CAS#1443735-02-1, has no formal code name. According to Hodoodo Chemical Nomenclature, it is named XAN35021.


Price and Availability

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XAN35021 (ROMK inhibitor) is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 565098
Name: XAN35021
CAS#: 1443735-02-1
Chemical Formula: C23H23FN8O2
Exact Mass: 462.1928
Molecular Weight: 462.49
Elemental Analysis: C, 59.73; H, 5.01; F, 4.11; N, 24.23; O, 6.92


Synonym: XAN35021; XAN-35021; XAN 35021; ROMK inhibitor; ROMK-IN-25; ROMK-IN25; ROMK-IN 25; ROMK IN25;

IUPAC/Chemical Name: 6-Fluoro-2-methyl-3-[(3R,9sS)-octahydro-8-[2-[5-(1H-tetrazol-1-yl)-2-pyridinyl]acetyl]pyrazino[2.1=c][1.4]oxazin-3-yl]benzonitrile

InChi Key: XHSSYBXTQWHQSD-AVRDEDQJSA-N

InChi Code: InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22-/m0/s1

SMILES Code: FC1=CC=C([C@H]2OC[C@H](CN(C(CC3=NC=C(N4N=NN=C4)C=C3)=O)CC5)N5C2)C(C)=C1C#N


Technical Data

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:
>3 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).

Harmonized System Code:
2934.99.90.01


References

1: Araujo M, Welch WJ, Zhou X, Sullivan K, Walsh S, Pasternak A, Wilcox CS. Inhibition of ROMK blocks macula densa tubuloglomerular feedback yet causes renal vasoconstriction in anesthetized rats. Am J Physiol Renal Physiol. 2017 Jun 1;312(6):F1120-F1127. doi: 10.1152/ajprenal.00662.2016. Epub 2017 Feb 22. PubMed PMID: 28228405.

2: Zhou X, Forrest MJ, Sharif-Rodriguez W, Forrest G, Szeto D, Urosevic-Price O, Zhu Y, Stevenson AS, Zhou Y, Stribling S, Dajee M, Walsh SP, Pasternak A, Sullivan KA. Chronic Inhibition of Renal Outer Medullary Potassium Channel Not Only Prevented but Also Reversed Development of Hypertension and End-Organ Damage in Dahl Salt-Sensitive Rats. Hypertension. 2017 Feb;69(2):332-338. doi: 10.1161/HYPERTENSIONAHA.116.08358. Epub 2016 Dec 5. PubMed PMID: 27920129.

3: Zhu Y, de Jesus RK, Tang H, Walsh SP, Jiang J, Gu X, Teumelsan N, Shahripour A, Pio B, Ding FX, Ha S, Priest BT, Swensen AM, Alonso-Galicia M, Felix JP, Brochu RM, Bailey T, Thomas-Fowlkes B, Zhou X, Pai LY, Hampton C, Hernandez M, Owens K, Ehrhart J, Roy S, Kaczorowski GJ, Yang L, Parmee ER, Sullivan K, Garcia ML, Pasternak A. Discovery of a potent and selective ROMK inhibitor with improved pharmacokinetic properties based on an octahydropyrazino[2,1-c][1,4]oxazine scaffold. Bioorg Med Chem Lett. 2016 Dec 1;26(23):5695-5702. doi: 10.1016/j.bmcl.2016.10.064. Epub 2016 Oct 24. PubMed PMID: 27839686.

4: Tang H, Zhu Y, Teumelsan N, Walsh SP, Shahripour A, Priest BT, Swensen AM, Felix JP, Brochu RM, Bailey T, Thomas-Fowlkes B, Pai LY, Hampton C, Corona A, Hernandez M, Metzger J, Forrest M, Zhou X, Owens K, Tong V, Parmee E, Roy S, Kaczorowski GJ, Yang L, Alonso-Galicia M, Garcia ML, Pasternak A. Discovery of MK-7145, an Oral Small Molecule ROMK Inhibitor for the Treatment of Hypertension and Heart Failure. ACS Med Chem Lett. 2016 May 12;7(7):697-701. doi: 10.1021/acsmedchemlett.6b00122. eCollection 2016 Jul 14. PubMed PMID: 27437080; PubMed Central PMCID: PMC4948008.