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. This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).
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
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.
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
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).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 462.49 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: 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.
