MedKoo Cat#: 130549 | Name: UM0130646

Description:

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

UM0130646 is a novel inhibitor of UBCH10, an E2 enzyme.

Chemical Structure

UM0130646
UM0130646
CAS#UM0130646

Theoretical Analysis

MedKoo Cat#: 130549

Name: UM0130646

CAS#: UM0130646

Chemical Formula: C30H30Cl2F3N3O3S

Exact Mass: 639.1337

Molecular Weight: 640.54

Elemental Analysis: C, 56.25; H, 4.72; Cl, 11.07; F, 8.90; N, 6.56; O, 7.49; S, 5.01

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
UM-0130646, UM 0130646, UBCH10 inhibitor
IUPAC/Chemical Name
10-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-7,8-dichloro-3-(thiophen-2-yl)-11-(4-(trifluoromethyl)phenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
InChi Key
NRRKGABZHKODPW-UHFFFAOYSA-N
InChi Code
InChI=1S/C30H30Cl2F3N3O3S/c31-21-16-23-25(17-22(21)32)38(8-10-41-12-11-40-9-7-36)29(18-3-5-20(6-4-18)30(33,34)35)28-24(37-23)14-19(15-26(28)39)27-2-1-13-42-27/h1-6,13,16-17,19,29,37H,7-12,14-15,36H2
SMILES Code
O=C1CC(C2=CC=CS2)CC3=C1C(C4=CC=C(C(F)(F)F)C=C4)N(CCOCCOCCN)C5=CC(Cl)=C(Cl)C=C5N3
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 640.54 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. Pelletier B, Duhamel S, Tambutet G, Jarvis S, Cléroux P, David M, Tanguay PL, Voisin L, James C, Lavoie R, Gareau Y, Flynn-Robitaille J, Lorca T, Ruel R, Marinier A, Meloche S. Discovery of Benzodiazepine-Based Inhibitors of the E2 Enzyme UBCH10 from a Cell-Based p21 Degradation Screen. ACS Chem Biol. 2023 May 19;18(5):1039-1046. doi: 10.1021/acschembio.2c00909. Epub 2023 Apr 25. PMID: 37097827.