MedKoo Cat#: 407992 | Name: COH000
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Description:

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

COH000 is a highly specific covalent allosteric SUMO E1 inhibitor with an IC50 of 0.2 μM for SUMOylation in vitro. COH000 targets a cryptic pocket distinct from the active site that is completely buried in all previous SUMO E1 structures and that COH000 binding to SUMO E1 is accompanied by a network of structural changes that altogether lock the enzyme in a previously unobserved inactive conformation.

Chemical Structure

COH000
CAS#1534358-79-6

Theoretical Analysis

MedKoo Cat#: 407992

Name: COH000

CAS#: 1534358-79-6

Chemical Formula: C25H25NO5

Exact Mass: 419.1733

Molecular Weight: 419.48

Elemental Analysis: C, 71.58; H, 6.01; N, 3.34; O, 19.07

Price and Availability

Size Price Availability Quantity
25mg USD 450.00 2 Weeks
50mg USD 750.00 2 Weeks
100mg USD 1,250.00 2 Weeks
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Related CAS #
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Synonym
COH000; COH-000; COH 000;
IUPAC/Chemical Name
(1R,4S)-Dimethyl 1-((R)-1-(phenylamino)-2-(p-tolyl)ethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
InChi Key
UFPINDDCTUCUSA-DFIYOIEZSA-N
InChi Code
InChI=1S/C25H25NO5/c1-16-9-11-17(12-10-16)15-20(26-18-7-5-4-6-8-18)25-14-13-19(31-25)21(23(27)29-2)22(25)24(28)30-3/h4-14,19-20,26H,15H2,1-3H3/t19-,20+,25-/m0/s1
SMILES Code
O=C(C1=C(C(OC)=O)[C@]2([H])C=C[C@@]1([C@H](NC3=CC=CC=C3)CC4=CC=C(C)C=C4)O2)OC
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
E1 enzymes activate ubiquitin (Ub) and ubiquitin-like modifiers (Ubls) in the first step of Ub/Ubl conjugation cascades and represent potential targets for therapeutic intervention in cancer and other life-threatening diseases.

Preparing Stock Solutions

The following data is based on the product molecular weight 419.48 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: Lv Z, Yuan L, Atkison JH, Williams KM, Vega R, Sessions EH, Divlianska DB, Davies C, Chen Y, Olsen SK. Molecular mechanism of a covalent allosteric inhibitor of SUMO E1 activating enzyme. Nat Commun. 2018 Dec 4;9(1):5145. doi: 10.1038/s41467-018-07015-1. PubMed PMID: 30514846; PubMed Central PMCID: PMC6279746.