MedKoo Cat#: 124440 | Name: II-559

Description:

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

II559 is a NNMT inhibitor. II559 showed enhanced cellular inhibition, with a cellular IC50 value of approximately 150 nM. , II559 reduced the cell viability with a GI50 value of ∼10 μM and suppressed the migration of aggressive clear cell renal cancer cell carcinoma cell lines.

Chemical Structure

II-559
II-559
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 124440

Name: II-559

CAS#: N/A

Chemical Formula: C24H23Cl2N5O4

Exact Mass: 515.1100

Molecular Weight: 516.38

Elemental Analysis: C, 55.82; H, 4.49; Cl, 13.73; N, 13.56; O, 12.39

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
II-559; II559; II 559
IUPAC/Chemical Name
2-chloro-5-(3-(N-(((1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl)methyl)acetamido)prop-1-yn-1-yl)benzamide
InChi Key
OJTMOLQULTUMAM-DOVSJBTNSA-N
InChi Code
InChI=1S/C24H23Cl2N5O4/c1-13(32)30(7-2-3-14-4-5-18(25)17(9-14)23(27)35)11-15-10-19(21(34)20(15)33)31-8-6-16-22(26)28-12-29-24(16)31/h4-6,8-9,12,15,19-21,33-34H,7,10-11H2,1H3,(H2,27,35)/t15-,19-,20-,21+/m1/s1
SMILES Code
O=C(N)C1=CC(C#CCN(C[C@@H]2[C@@H](O)[C@@H](O)[C@H](N3C=CC4=C(Cl)N=CN=C43)C2)C(C)=O)=CC=C1Cl
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 516.38 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
Iyamu ID, Zhao T, Huang R. Structure-Activity Relationship Studies on Cell-Potent Nicotinamide N-Methyltransferase Bisubstrate Inhibitors. J Med Chem. 2023 Jul 31. doi: 10.1021/acs.jmedchem.3c00632. Epub ahead of print. PMID: 37523719.