Dec-2-ynoyl-coenzyme A | 105528-05-0

MedKoo Cat#: 581669 | Name: Dec-2-ynoyl-coenzyme A

Description:

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

Dec-2-ynoyl-coenzyme A, it possible inhibit on the microsomal fatty acid chain elongation pathway in rat liver.

Chemical Structure

Dec-2-ynoyl-coenzyme A

CAS#105528-05-0

Theoretical Analysis

MedKoo Cat#: 581669

Name: Dec-2-ynoyl-coenzyme A

CAS#: 105528-05-0

Chemical Formula: C31H50N7O17P3S

Exact Mass: 917.2197

Molecular Weight: 917.75

Elemental Analysis: C, 40.57; H, 5.49; N, 10.68; O, 29.64; P, 10.12; S, 3.49

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

Dec-2-ynoyl-coenzyme A; 2-Decynoyl-coa; Coenzyme A, dec-2-ynoyl-.

IUPAC/Chemical Name

S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) dec-2-ynethioate

InChi Key

CEGGBBHEUBHATI-HSJNEKGZSA-N

InChi Code

InChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26+,30-/m1/s1

SMILES Code

CCCCCCCC#CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 917.75 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.Dual action of 2-decynoyl coenzyme A: inhibitor of hepatic mitochondrial trans-2-enoyl coenzyme A reductase and peroxisomal bifunctional protein and substrate for the mitochondrial beta-oxidation system. Nagi MN, Cook L, Laguna JC, Cinti DL. Arch Biochem Biophys. 1988 Nov 15;267(1):1-12. PMID: 3058034 2.Site of inhibition of rat liver microsomal fatty acid chain elongation system by dec-2-ynoyl coenzyme A. Possible mechanism of inhibition. Nagi MN, Cook L, Ghesquier D, Cinti DL. J Biol Chem. 1986 Oct 15;261(29):13598-605. PMID: 3759985