Fiduxosin | Fiduxosin Hydrochlride | CAS#208993-54-8 | 208992-74-9 | alpha(1)-adrenoceptor antagonist

MedKoo Cat#: 525051 | Name: Fiduxosin free base

Description:

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

Fiduxosin is an alpha(1)-adrenoceptor antagonist with higher affinity for alpha(1A)-adrenoceptors and for alpha(1D)-adrenoceptors than for alpha(1B)-adrenoceptors.

Chemical Structure

Fiduxosin free base

CAS#208993-54-8 (free base)

Theoretical Analysis

MedKoo Cat#: 525051

Name: Fiduxosin free base

CAS#: 208993-54-8 (free base)

Chemical Formula: C30H29N5O4S

Exact Mass: 555.1940

Molecular Weight: 555.65

Elemental Analysis: C, 64.85; H, 5.26; N, 12.60; O, 11.52; S, 5.77

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 #

208993-54-8 (free base) 208992-74-9 (HCl)

Synonym

Fiduxosin; ABT-980; MLS002153379; ABT980; ABT980; NCGC00162178-02; SMR001230768; AC1L58WY; Abt 980.

IUPAC/Chemical Name

3-(4-(9-Methoxy-1,2,3,3a,4,9b-hexahydro(1)benzopyran(3,4-c)pyrrol-2-yl)butyl)-8-phenylpyrazino(2',3'-4,5)thieno(3,2-d)pyrimidine-2,4(1H,3H)-dione

InChi Key

WDTAYDBPNYFWDR-WOJBJXKFSA-N

InChi Code

InChI=1S/C30H29N5O4S/c1-38-22-10-7-11-23-24(22)20-16-34(15-19(20)17-39-23)12-5-6-13-35-29(36)27-25(33-30(35)37)26-28(40-27)31-14-21(32-26)18-8-3-2-4-9-18/h2-4,7-11,14,19-20H,5-6,12-13,15-17H2,1H3,(H,33,37)/t19-,20-/m1/s1

SMILES Code

COc1cccc2c1[C@@H]3CN(C[C@@H]3CO2)CCCCn4c(=O)c5c(c6c(s5)ncc(n6)c7ccccc7)[nH]c4=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

Soluble in DMSO, not in water

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

208993-54-8 (Fiduxosin) 208992-74-9 ( Fiduxosin Hydrochlride)

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 555.65 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: Colanesi S, Taylor KL, Temperley ND, Lundegaard PR, Liu D, North TE, Ishizaki H, Kelsh RN, Patton EE. Small molecule screening identifies targetable zebrafish pigmentation pathways. Pigment Cell Melanoma Res. 2012 Mar;25(2):131-43. doi:10.1111/j.1755-148X.2012.00977.x. PubMed PMID: 22252091. 2: Dutta S, Zhang Y, Daszkowski DJ, Granneman GR, Verlinden M. Single- and multiple-dose pharmacokinetics of fiduxosin under nonfasting conditions in healthy male subjects. J Clin Pharmacol. 2002 May;42(5):540-6. PubMed PMID: 12017348. 3: Dutta S, Zhang Y, Daszkowski DJ, Granneman GR, Verlinden M. Multiple dose pharmacokinetics of fiduxosin under fasting conditions in healthy elderly male subjects. J Pharm Pharmacol. 2002 May;54(5):641-7. PubMed PMID: 12005359. 4: Dutta S, Zhang Y, Granneman GR, Verlinden M. Effect of food on the pharmacokinetics of fiduxosin in healthy male subjects. Eur J Drug Metab Pharmacokinet. 2002 Jan-Mar;27(1):49-52. PubMed PMID: 11996327. 5: Witte DG, Brune ME, Katwala SP, Milicic I, Stolarik D, Hui YH, Marsh KC, Kerwin JF Jr, Meyer MD, Hancock AA. Modeling of relationships between pharmacokinetics and blockade of agonist-induced elevation of intraurethral pressure and mean arterial pressure in conscious dogs treated with alpha(1)-adrenoceptor antagonists. J Pharmacol Exp Ther. 2002 Feb;300(2):495-504. PubMed PMID: 11805209. 6: Brune ME, Katwala SP, Milicic I, Witte DG, Kerwin JF Jr, Meyer MD, Hancock AA,Williams M. Effect of fiduxosin, an antagonist selective for alpha(1A)- and alpha(1D)-adrenoceptors, on intraurethral and arterial pressure responses in conscious dogs. J Pharmacol Exp Ther. 2002 Feb;300(2):487-94. PubMed PMID: 11805208. 7: Hancock AA, Buckner SA, Brune ME, Esbenshade TA, Ireland LM, Katwala S, Milicic I, Meyer MD, Kerwin JF Jr, Williams M. Preclinical pharmacology of fiduxosin, a novel alpha(1)-adrenoceptor antagonist with uroselective properties. J Pharmacol Exp Ther. 2002 Feb;300(2):478-86. PubMed PMID: 11805207.