MedKoo Cat#: 407974 | Name: KI-696

Description:

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

KI-696 is a novel chemical probe for KEAP1 and Inhibitor of KEAP1-NRF2 protein-protein interaction. KI-696 represents an excellent LMW tool to study the KEAP1-NRF2 interaction in vivo. Discovered by FBS, the probe is well characterised in a number of in vitro assays as well as showing robust in vivo effects. The in vivo application is hampered by low bioavailability and high clearance, necessitating IV infusions as the mode of administration, which may limit the usefulness of the probe in vivo.

Chemical Structure

KI-696
KI-696
CAS#1799974-70-1

Theoretical Analysis

MedKoo Cat#: 407974

Name: KI-696

CAS#: 1799974-70-1

Chemical Formula: C28H30N4O6S

Exact Mass: 550.1886

Molecular Weight: 550.63

Elemental Analysis: C, 61.08; H, 5.49; N, 10.18; O, 17.43; S, 5.82

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
KI-696; KI 696; KI696;
IUPAC/Chemical Name
(S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid
InChi Key
ZDNGJXBUEQNFBQ-GCJKJVERSA-N
InChi Code
InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1
SMILES Code
O=C(O)C[C@H](C1=CC(OC)=C(N(C)N=N2)C2=C1)C3=CC=C(C)C(CN4S(C5=CC=CC=C5O[C@H](C)C4)(=O)=O)=C3
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

Preparing Stock Solutions

The following data is based on the product molecular weight 550.63 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
http://www.chemicalprobes.org/ki-696