UM0130646

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Hodoodo CAT#: H130549

CAS#: UM0130646

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

Chemical Structure

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UM0130646
CAS# UM0130646
Instruction

Theoretical Analysis

Hodoodo Cat#: H130549
Name: UM0130646
CAS#: UM0130646
Chemical Formula: C30H30Cl2F3N3O3S
Exact Mass: 639.13
Molecular Weight: 640.540
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 not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.

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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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.