MedKoo Cat#: 574013 | Name: 3'-O-dephosphono-coenzyme A
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Description:

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

3'-O-dephosphono-coenzyme A is an intermediate in the biosynthesis of coenzyme A (CoA) from pantothenic acid (vitamin B5). It is phosphorylated by CoA synthase in humans to form CoA. 3'-Dephosphocoenzyme A can be used as a transcription initiator in the synthesis of CoA-RNA by in vitro transcription.

Chemical Structure

 3'-O-dephosphono-coenzyme A
3'-O-dephosphono-coenzyme A
CAS#3633-59-8

Theoretical Analysis

MedKoo Cat#: 574013

Name: 3'-O-dephosphono-coenzyme A

CAS#: 3633-59-8

Chemical Formula: C21H35N7O13P2S

Exact Mass: 687.1489

Molecular Weight: 687.55

Elemental Analysis: C, 36.69; H, 5.13; N, 14.26; O, 30.25; P, 9.01; S, 4.66

Price and Availability

Size Price Availability Quantity
5mg USD 450.00 2 Weeks
10mg USD 750.00 2 Weeks
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Synonym
3'-O-dephosphono-coenzyme A, depCoA, Dephospho-CoA
IUPAC/Chemical Name
3'-O-dephosphono-coenzyme A
InChi Key
KDTSHFARGAKYJN-IBOSZNHHSA-N
InChi Code
InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16+,20-/m1/s1
SMILES Code
O[C@H]1[C@@H](O)[C@H](N2C=NC3=C2N=CN=C3N)O[C@@H]1COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCS)=O)=O)(O)=O)(O)=O
Appearance
A crystalline solid
Purity
>90% (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 687.55 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. Leonardi, R., Zhang, Y.M., Rock, C.O., et al. Coenzyme A: Back in action. Prog. Lipid Res. 44(2-3), 125-153 (2005). 2. Huang, F. Efficient incorporation of CoA, NAD and FAD into RNA by in vitro transcription. Nucleic Acids Res. 31(3), e8 (2003). 3. Sapkota, K., and Huang, F. Efficient one-pot enzymatic synthesis of dephospho coenzyme A. Bioorg. Chem. 76, 23-27 (2018).