Phendioxan | CAS#130905-04-3

MedKoo Cat#: 341587 | Name: Phendioxan

Description:

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

Phendioxan is a biochemcial.

Chemical Structure

Phendioxan

CAS#130905-04-3

Theoretical Analysis

MedKoo Cat#: 341587

Name: Phendioxan

CAS#: 130905-04-3

Chemical Formula: C25H27NO5

Exact Mass: 421.1889

Molecular Weight: 421.49

Elemental Analysis: C, 71.24; H, 6.46; N, 3.32; O, 18.98

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 #

No Data

Synonym

Phendioxan; WB 4101; WB-4101; WB4101.

IUPAC/Chemical Name

1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-3-phenyl-, (2R,3R)-rel-

InChi Key

UVEKKXRFQCNLQE-DNQXCXABSA-N

InChi Code

InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3/t23-,24-/m1/s1

SMILES Code

COC1=C(OCCNC[C@H]2OC3=CC=CC=C3O[C@@H]2C4=CC=CC=C4)C(OC)=CC=C1

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 421.49 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: Carrieri A, Piergentili A, Del Bello F, Giannella M, Pigini M, Leonardi A, Fanelli F, Quaglia W. Structure-activity relationships in 1,4-benzodioxan-related compounds. 10. Novel α1-adrenoreceptor antagonists related to openphendioxan: synthesis, biological evaluation, and α1d computational study. Bioorg Med Chem. 2010 Oct 1;18(19):7065-77. doi: 10.1016/j.bmc.2010.08.002. Epub 2010 Aug 6. PubMed PMID: 20801662. 2: Quaglia W, Santoni G, Pigini M, Piergentili A, Gentili F, Buccioni M, Mosca M, Lucciarini R, Amantini C, Nabissi MI, Ballarini P, Poggesi E, Leonardi A, Giannella M. Structure-activity relationships in 1,4-benzodioxan-related compounds. 8.(1) {2-[2-(4-chlorobenzyloxy)phenoxy]ethyl}-[2-(2,6-dimethoxyphenoxy)ethyl]amine (clopenphendioxan) as a tool to highlight the involvement of alpha1D- and alpha1B-adrenoreceptor subtypes in the regulation of human PC-3 prostate cancer cell apoptosis and proliferation. J Med Chem. 2005 Dec 1;48(24):7750-63. PubMed PMID: 16302814. 3: Quaglia W, Pigini M, Piergentili A, Giannella M, Gentili F, Marucci G, Carrieri A, Carotti A, Poggesi E, Leonardi A, Melchiorre C. Structure-activity relationships in 1,4-benzodioxan-related compounds. 7. Selectivity of 4-phenylchroman analogues for alpha(1)-adrenoreceptor subtypes. J Med Chem. 2002 Apr 11;45(8):1633-43. PubMed PMID: 11931617. 4: Quaglia W, Giannella M, Marucci G, Piergentili A, Pigini M, Tayebati SK, Melchiorre C. Structure-activity relationships in 1,4-benzodioxan-related compounds. 5. Effects of modification of the side chain on alpha-adrenoreceptor blocking activity. Farmaco. 1996 Jan;51(1):27-32. PubMed PMID: 8721758. 5: Quaglia W, Pigini M, Tayebati SK, Piergentili A, Giannella M, Marucci G, Melchiorre C. Structure-activity relationships in 1,4-benzodioxan-related compounds. 4. Effect of aryl and alkyl substituents at position 3 on alpha-adrenoreceptor blocking activity. J Med Chem. 1993 May 28;36(11):1520-8. PubMed PMID: 8098772. 6: Quaglia W, Pigini M, Giannella M, Melchiorre C. 3-Phenyl analogues of 2-[[[2-(2,6-dimethoxyphenoxy)ethyl]amino]-methyl]-1,4-benzodioxan (WB 4101) as highly selective alpha 1-adrenoceptor antagonists. J Med Chem. 1990 Nov;33(11):2946-8. PubMed PMID: 1977906. h