II802

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

MedKoo CAT#: 124441

CAS#: N/A

Description: II-802 is a potent NNMT inhibitor. II-802 showed enhanced cellular inhibition, with a cellular IC50 value of approximately 150 nM. , II-802 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

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II802
CAS# N/A
Instruction

Theoretical Analysis

MedKoo Cat#: 124441
Name: II802
CAS#: N/A
Chemical Formula: C24H23Cl2N5O4
Exact Mass: 515.11
Molecular Weight: 516.380
Elemental Analysis: C, 55.82; H, 4.49; Cl, 13.73; N, 13.56; O, 12.39

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: II802; II 802; II-802

IUPAC/Chemical Name: 4-chloro-3-(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: INAXOPGJZCFUMW-OTNPHJDUSA-N

InChi Code: InChI=1S/C24H23Cl2N5O4/c1-13(32)30(7-2-3-14-9-15(23(27)35)4-5-18(14)25)11-16-10-19(21(34)20(16)33)31-8-6-17-22(26)28-12-29-24(17)31/h4-6,8-9,12,16,19-21,33-34H,7,10-11H2,1H3,(H2,27,35)/t16-,19-,20-,21+/m1/s1

SMILES Code: O=C(N)C1=CC=C(Cl)C(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)=C1

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 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.