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MedKoo Cat#: 412554 | Name: Cetiedil citrate

Description:

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

Cetiedil citrate is a vasodilator

Chemical Structure

Cetiedil citrate
CAS#16286-69-4

Theoretical Analysis

MedKoo Cat#: 412554

Name: Cetiedil citrate

CAS#: 16286-69-4

Chemical Formula: C26H39NO9S

Exact Mass: 541.2346

Molecular Weight: 541.66

Elemental Analysis: C, 57.65; H, 7.26; N, 2.59; O, 26.58; S, 5.92

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
Cetiedil citrate; Stratene; EINECS 240-381-2
IUPAC/Chemical Name
2-(Hexahydro-1H-azepin-1-yl)ethyl alpha-cyclohexylthiophene-3-acetate, compound with citric acid (1:1)
InChi Key
XMGJGSKRRWXOIF-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H31NO2S.C6H8O7/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h10,15-17,19H,1-9,11-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
SMILES Code
O=C(OCCN1CCCCCC1)C(C2CCCCC2)C3=CSC=C3.OC(C(O)=O)(CC(O)=O)CC(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

Preparing Stock Solutions

The following data is based on the product molecular weight 541.66 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
1: Abu-Salah KM, Gambo AH. An analysis of the mechanism by which cetiedil inhibits sickling. Life Sci. 2002 Jan 18;70(9):1003-11. doi: 10.1016/s0024-3205(01)01477-1. PMID: 11860149. 2: Stuart J, Stone PC, Bilto YY, Keidan AJ. Oxpentifylline and cetiedil citrate improve deformability of dehydrated sickle cells. J Clin Pathol. 1987 Oct;40(10):1182-6. doi: 10.1136/jcp.40.10.1182. PMID: 3119675; PMCID: PMC1141191. 3: Benjamin LJ, Berkowitz LR, Orringer E, Mankad VN, Prasad AS, Lewkow LM, Chillar RK, Peterson CM. A collaborative, double-blind randomized study of cetiedil citrate in sickle cell crisis. Blood. 1986 May;67(5):1442-7. PMID: 3516257. 4: Cho YW, Oh SY, Han HC, Kuemmerle HP. Comparative bronchodilatory activity of cetiedil citrate monohydrate, theophylline, orciprenaline and placebo in adult asthmatics. Int J Clin Pharmacol Biopharm. 1978 Sep;16(9):402-7. PMID: 359494. 5: Berkowitz LR, Orringer EP. An analysis of the mechanism by which cetiedil inhibits the Gardos phenomenon. Am J Hematol. 1984 Oct;17(3):217-23. doi: 10.1002/ajh.2830170302. PMID: 6475933. 6: Orringer EP, Powell JR, Cross RE, Rogers JF, Wojcieszyn O, Phillips JC, Reed J, Ng KT, Berkowitz LR. A single-dose pharmacokinetic study of the antisickling agent cetiedil. Clin Pharmacol Ther. 1986 Mar;39(3):276-81. doi: 10.1038/clpt.1986.39. PMID: 3512147. 7: Simaan JA, Aviado DM. A comparative study between the cardiovascular effects of cetiedil, a new vasodilator, and papaverine and aminophylline. J Pharmacol Exp Ther. 1976 Jul;198(1):176-86. PMID: 933005. 8: Roxburgh CJ, Ganellin CR, Athmani S, Bisi A, Quaglia W, Benton DC, Shiner MA, Malik-Hall M, Haylett DG, Jenkinson DH. Synthesis and structure-activity relationships of cetiedil analogues as blockers of the Ca(2+)-activated K+ permeability of erythrocytes. J Med Chem. 2001 Sep 27;44(20):3244-53. doi: 10.1021/jm001113w. PMID: 11563923. 9: Roxburgh CJ, Ganellin CR, Shiner MA, Benton DC, Dunn PM, Ayalew Y, Jenkinson DH. The synthesis and some pharmacological actions of the enantiomers of the K(+)-channel blocker cetiedil. J Pharm Pharmacol. 1996 Aug;48(8):851-7. doi: 10.1111/j.2042-7158.1996.tb03986.x. PMID: 8887737. 10: Asakura T, Ohnishi ST, Adachi K, Ozguc M, Hashimoto K, Singer M, Russell MO, Schwartz E. Effect of cetiedil on erythrocyte sickling: new type of antisickling agent that may affect erythrocyte membranes. Proc Natl Acad Sci U S A. 1980