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2018年5月1日星期二

Original: ML-385 846557-71-9 , stock more than 100g

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Description: ML-385 is a potent and selective NRF2 inhibitor (Nrf2; IC50 = 1.9 µM) . ML-385 selectively intervenes therapeutic resistance in KEAP1-Deficient NSCLC Tumors. ML-385 inhibits its downstream target gene expression. ML385 binds to Neh1, the Cap 'N' Collar Basic Leucine Zipper (CNC-bZIP) domain of NRF2, and interferes with the binding of the V-Maf Avian Musculoaponeurotic Fibrosarcoma Oncogene Homologue G (MAFG)-NRF2 protein complex to regulatory DNA binding sequences. ML385 in combination with carboplatin showed significant antitumor activity.
Name: ML-385 

CAS#: 846557-71-9 
Chemical Formula: C29H25N3O4S 
Exact Mass: 511.1566 
Molecular Weight: 511.596 
Elemental Analysis: C, 68.08; H, 4.93; N, 8.21; O, 12.51; S, 6.27

Synonym: ML-385; ML 385; ML385.
IUPAC/Chemical Name: N-[4-[2,3-dihydro-1-(2-methylbenzoyl)-1H-indol-5-yl]-5-methyl-2-thiazolyl]-1,3-benzodioxole-5-acetamide
InChi Key: LINHYWKZVCNAMQ-UHFFFAOYSA-N
InChi Code: InChI=1S/C29H25N3O4S/c1-17-5-3-4-6-22(17)28(34)32-12-11-20-15-21(8-9-23(20)32)27-18(2)37-29(31-27)30-26(33)14-19-7-10-24-25(13-19)36-16-35-24/h3-10,13,15H,11-12,14,16H2,1-2H3,(H,30,31,33)
SMILES Code: O=C(NC1=NC(C2=CC3=C(N(C(C4=CC=CC=C4C)=O)CC3)C=C2)=C(C)S1)CC5=CC=C(OCO6)C6=C5

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: >2 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).
Harmonized System Code: 293490

REFERENCES
1: Singh A, Venkannagari S, Oh KH, Zhang YQ, Rohde JM, Liu L, Nimmagadda S, 
Sudini K, Brimacombe KR, Gajghate S, Ma J, Wang A, Xu X, Shahane SA, Xia M, Woo 
J, Mensah GA, Wang Z, Ferrer M, Gabrielson E, Li Z, Rastinejad F, Shen M, Boxer 
MB, Biswal S. Small Molecule Inhibitor of NRF2 Selectively Intervenes Therapeutic 
Resistance in KEAP1-Deficient NSCLC Tumors. ACS Chem Biol. 2016 Nov 
18;11(11):3214-3225. Epub 2016 Oct 17. PubMed PMID: 27552339; PubMed Central 
PMCID: PMC5367156.