NCATS-SM1440

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

MedKoo CAT#: 463089

CAS#: 1964516-59-3

Description: NCATS-SM1440 is a Lactate Dehydrogenase Inhibitor with Optimized Cell Activity and Pharmacokinetic Properties.

Chemical Structure

img
NCATS-SM1440
CAS# 1964516-59-3
Instruction

Theoretical Analysis

MedKoo Cat#: 463089
Name: NCATS-SM1440
CAS#: 1964516-59-3
Chemical Formula: C30H22F2N4O4S3
Exact Mass: 636.08
Molecular Weight: 636.707
Elemental Analysis: C, 56.59; H, 3.48; F, 5.97; N, 8.80; O, 10.05; S, 15.11

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.

Request quote for custom synthesis

Synonym: NCATS-SM1440; NCATS-SM 1440; NCATS-SM-1440;

IUPAC/Chemical Name: 2-(5-(cyclopropylmethyl)-3-(4-fluoro-3-(thiophen-2-ylethynyl)phenyl)-4-(3-fluoro-4-sulfamoylbenzyl)-1H-pyrazol-1-yl)thiazole-4-carboxylic acid

InChi Key: WGFNHVCWSDXXPH-UHFFFAOYSA-N

InChi Code: InChI=1S/C30H22F2N4O4S3/c31-23-9-7-20(15-19(23)6-8-21-2-1-11-41-21)28-22(12-18-5-10-27(24(32)13-18)43(33,39)40)26(14-17-3-4-17)36(35-28)30-34-25(16-42-30)29(37)38/h1-2,5,7,9-11,13,15-17H,3-4,12,14H2,(H,37,38)(H2,33,39,40)

SMILES Code: O=C(C1=CSC(N2N=C(C3=CC=C(F)C(C#CC4=CC=CS4)=C3)C(CC5=CC=C(S(=O)(N)=O)C(F)=C5)=C2CC6CC6)=N1)O

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 636.71 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:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1: Rai G, Urban DJ, Mott BT, Hu X, Yang SM, Benavides GA, Johnson MS, Squadrito GL, Brimacombe KR, Lee TD, Cheff DM, Zhu H, Henderson MJ, Pohida K, Sulikowski GA, Dranow DM, Kabir M, Shah P, Padilha E, Tao D, Fang Y, Christov PP, Kim K, Jana S, Muttil P, Anderson T, Kunda NK, Hathaway HJ, Kusewitt DF, Oshima N, Cherukuri M, Davies DR, Norenberg JP, Sklar LA, Moore WJ, Dang CV, Stott GM, Neckers L, Flint AJ, Darley-Usmar VM, Simeonov A, Waterson AG, Jadhav A, Hall MD, Maloney DJ. Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. J Med Chem. 2020 Sep 27. doi: 10.1021/acs.jmedchem.0c00916. Epub ahead of print. PMID: 32902275.