3'-O-dephosphono-coenzyme A

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MedKoo CAT#: 574013

CAS#: 3633-59-8

Description: 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
CAS# 3633-59-8

Theoretical Analysis

MedKoo Cat#: 574013
Name: 3'-O-dephosphono-coenzyme A
CAS#: 3633-59-8
Chemical Formula: C21H35N7O13P2S
Exact Mass: 687.15
Molecular Weight: 687.550
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
1mg USD 225 2 Weeks
5mg USD 440 2 Weeks
10mg USD 720 2 Weeks
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Synonym: 3'-O-dephosphono-coenzyme A, depCoA, Dephospho-CoA

IUPAC/Chemical Name: 3'-O-dephosphono-coenzyme A


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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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).