JG-231

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

MedKoo CAT#: 564694

CAS#: 1627126-59-3

Description: JG-231 is an allosteric inhibitor of protein-protein interactions with heat shock protein 70 (Hsp70).


Chemical Structure

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JG-231
CAS# 1627126-59-3

Theoretical Analysis

MedKoo Cat#: 564694
Name: JG-231
CAS#: 1627126-59-3
Chemical Formula: C22H18BrCl2N3OS4
Exact Mass: 616.8893
Molecular Weight: 619.45
Elemental Analysis: C, 42.66; H, 2.93; Br, 12.90; Cl, 11.45; N, 6.78; O, 2.58; S, 20.70

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 @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: JG231; JG 231; JG-231

IUPAC/Chemical Name: 3-((5-Bromothiophen-2-yl)methyl)-2-((Z)-((E)-5-(6-chloro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)methyl)thiazol-3-ium chloride

InChi Key: LFKCNIBJPYBMOM-QPNALZDCSA-M

InChi Code: InChI=1S/C22H18BrClN3OS4.ClH/c1-3-27-19(11-18-26(8-9-29-18)12-14-5-7-17(23)30-14)32-20(21(27)28)22-25(2)15-6-4-13(24)10-16(15)31-22;/h4-11H,3,12H2,1-2H3;1H/q+1;/p-1/b22-20+;

SMILES Code: O=C1N(CC)/C(S/C1=C2SC3=CC(Cl)=CC=C3N/2C)=C/C4=[N+](CC5=CC=C(Br)S5)C=CS4.[Cl-]

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

Preparing Stock Solutions

The following data is based on the product molecular weight 619.45 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

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1: Shao H, Li X, Moses MA, Gilbert LA, Kalyanaraman C, Young ZT, Chernova M, Journey SN, Weissman JS, Hann B, Jacobson MP, Neckers L, Gestwicki JE. Exploration of Benzothiazole Rhodacyanines as Allosteric Inhibitors of Protein-Protein Interactions with Heat Shock Protein 70 (Hsp70). J Med Chem. 2018 Jul 26;61(14):6163-6177. doi: 10.1021/acs.jmedchem.8b00583. Epub 2018 Jul 13. PubMed PMID: 29953808; PubMed Central PMCID: PMC6104643.