DDR1-IN-1 hydrate | Biochemical

MedKoo Cat#: 574652 | Name: DDR1-IN-1 hydrate

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Description:

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

DDR1-IN-1 hydrate binds to DDR1 and inhibits DDR1 autophosphorylation.

Chemical Structure

DDR1-IN-1 hydrate

CAS#DDR1-IN-1 hydrate

Theoretical Analysis

MedKoo Cat#: 574652

Name: DDR1-IN-1 hydrate

CAS#: DDR1-IN-1 hydrate

Chemical Formula: C120H130F12N16O15

Exact Mass: 2262.9710

Molecular Weight: 2264.44

Elemental Analysis: C, 63.65; H, 5.79; F, 10.07; N, 9.90; O, 10.60

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 350.00	2 Weeks
10mg	USD 650.00	2 Weeks

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Related CAS #

1449685-96-4 (free base) 1780303-76-5 (HCl) DDR1-IN-1 hydrate

Synonym

DDR1-IN-1 hydrate

IUPAC/Chemical Name

N-[3-[(2,3-dihydro-2-oxo-1H-indol-5-yl)oxy]-4-methylphenyl]-4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-benzamide, hydrate (4:3)

InChi Key

NQRVBJMEKGSDBY-UHFFFAOYSA-N

InChi Code

InChI=1S/4C30H31F3N4O3.3H2O/c4*1-3-36-10-12-37(13-11-36)18-21-6-5-20(15-25(21)30(31,32)33)29(39)34-23-7-4-19(2)27(17-23)40-24-8-9-26-22(14-24)16-28(38)35-26;;;/h4*4-9,14-15,17H,3,10-13,16,18H2,1-2H3,(H,34,39)(H,35,38);3*1H2

SMILES Code

CCN1CCN(CC2=C(C(F)(F)F)C=C(/C(O)=N/C3=CC(OC4=CC=C(N5)C(CC5=O)=C4)=C(C=C3)C)C=C2)CC1.CCN6CCN(CC7=C(C(F)(F)F)C=C(/C(O)=N/C8=CC(OC9=CC=C(N%10)C(CC%10=O)=C9)=C(C=C8)C)C=C7)CC6.CCN%11CCN(CC%12=C(C(F)(F)F)C=C(/C(O)=N/C%13=CC(OC%14=CC=C(N%15)C(CC%15=O)=C%14

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 2,264.44 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.

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

1. Kim, H.G., Tan, L., Weisberg, E.L., et al. Discovery of a potent and selective DDR1 receptor tyrosine kinase inhibitor. ACS Chem Biol. 8, 2145-2150 (2013). 2. Canning, P., Tan, L., Chu, K., et al. Structural mechanisms determining inhibition of the collagen receptor DDR1 by selective and multi-targeted type II kinase inhibitors. Journal of Molecular Biology 426(13), 2457-2470 (2014).