Rocastine fumarate

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

MedKoo CAT#: 573506

CAS#: 91833-50-0 (fumarate)

Description: Rocastine is a rapid-acting, potent, nonsedating antihistamine. In guinea pigs challenged with a lethal dose of histamine, rocastine is as effective as brompheniramine, chlorpheniramine, pyrilamine, and promethazine and superior to astemizole, diphenhydramine, terfenadine, and oxatomide. Rocastine protected guinea pigs from collapse induced by aerosolized antigen; rocastine was approximately 36 x more potent (based on 1 hr PD50) than diphenhydramine and as potent as oxatomide and terfenadine. Rocastine did not alter the EEG of cats at doses in vast excess (150x) of its antihistaminic dose nor did it potentiate yohimbine toxicity in mice. Further, rocastine possesses no anticholinergic, antiadrenergic, or antiserotonergic properties in vitro.

Chemical Structure

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Rocastine fumarate
CAS# 91833-50-0 (fumarate)
Instruction

Theoretical Analysis

MedKoo Cat#: 573506
Name: Rocastine fumarate
CAS#: 91833-50-0 (fumarate)
Chemical Formula: C17H23N3O5S
Exact Mass: 381.14
Molecular Weight: 381.450
Elemental Analysis: C, 53.53; H, 6.08; N, 11.02; O, 20.97; S, 8.40

Price and Availability

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.

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Related CAS #: 109914-03-6 (2HCl)   99617-35-3 (HCl hydrate)   91833-50-0 (fumarate)   91833-49-7 (free base)   111672-14-1 (HCl anhydrous)  

Synonym: AHR-11325; AHR 11325; AHR11325; Rocastine fumarate

IUPAC/Chemical Name: Pyrido(3,2-f)-1,4-oxazepine-5(2H)-thione, 2-(2-(dimethylamino)ethyl)-3,4-dihydro-4-methyl-, (2E)-2-butenedioate

InChi Key: LZFCSDIBLCSFAK-WLHGVMLRSA-N

InChi Code: 1S/C13H19N3OS.C4H4O4/c1-15(2)8-6-10-9-16(3)13(18)11-5-4-7-14-12(11)17-10;5-3(6)1-2-4(7)8/h4-5,7,10H,6,8-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

SMILES Code: CN(C)CCC1CN(C)C(=S)c2cccnc2O1.OC(=O)\C=C\C(=O)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

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

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 381.45 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Sleevi MC, Cale AD Jr, Gero TW, Jaques LW, Welstead WJ, Johnson AF, Kilpatrick BF, Demian I, Nolan JC, Jenkins H. Optical isomers of rocastine and close analogues: synthesis and H1 antihistaminic activity of its enantiomers and their structural relationship to the classical antihistamines. J Med Chem. 1991 Apr;34(4):1314-28. PubMed PMID: 1673158.

2: Cale AD Jr, Gero TW, Walker KR, Lo YS, Welstead WJ Jr, Jaques LW, Johnson AF, Leonard CA, Nolan JC, Johnson DN. Benzo- and pyrido-1,4-oxazepin-5-ones and -thiones: synthesis and structure-activity relationships of a new series of H1 antihistamines. J Med Chem. 1989 Sep;32(9):2178-99. PubMed PMID: 2570152.

3: Nolan JC, Stephens DJ, Proakis AG, Leonard CA, Johnson DN, Kilpatrick BF, Foxwell MH, Yanni JM. Rocastine (AHR-11325), a rapid acting, nonsedating antihistamine. Agents Actions. 1989 Aug;28(1-2):53-61. PubMed PMID: 2571244.